Part IV · Quantum Mechanics — Chapter 4.8

The Oscillator, and the Ladder

One potential, solved twice over. The differential equation was done in Chapter 4.5 and this chapter does not repeat it. What it does instead is take the same operator apart into two factors, discover that the factorisation fails by exactly one commutator, and get the whole spectrum out of that failure. The answer is famous. The method is what Parts V and VII are made of.

Where we are

Chapter 4.7 solved four potentials and then said what it could not do. Its method was to write the general solution on each interval where the potential is constant and join the pieces where it changes, and that method needs pieces. The harmonic oscillator has none. Its potential 12mω2x2\half m\omega^{2}x^{2} is nowhere constant, there is no interval to solve on and no step to match across, so nothing from that chapter's toolkit touches it. Chapter 4.7's closing brick named the two ways forward from that position: solve one problem exactly by an algebra, or approximate all of them. This chapter is the first of the two, and Chapter 4.10 is the second.

The oscillator is worth the exact treatment for a reason Chapter 0.8 §4 already gave. Expand any smooth potential about a stable minimum and the constant is irrelevant, the linear term vanishes because the point was a minimum, and what survives is quadratic. So this is not one problem among many. It is what every stable system looks like close enough to equilibrium, which is why Chapter 0.8 called it the equation worth solving thoroughly, and why Chapters 5.3 and 7.4 are this single calculation with an index attached to it.

Here is the route. Section 1 says plainly that there are two ways to solve this problem, that one of them is already done and sitting in Chapter 4.5, and why the other one is what this chapter spends its pages on. Section 2 tries to factorise the energy into two pieces the way you would factorise a sum of two squares, watches the factorisation fail, and finds that the failure is exactly a commutator and exactly the ground-state energy. Section 3 turns that leftover into a machine that moves between eigenstates, and names the machine, because you will meet it three more times before the book is over. Section 4 is the step most books skip: showing that the machine has to stop, and that what stops it is the non-negativity of a length. Out of that comes En=(n+12)ωE_n=(n+\half)\hbar\omega, from the algebra and nothing else, once §5 has supplied the one state the algebra needs to exist. Section 5 finds the wavefunctions by solving a single first-order equation and climbing. Section 6 collects the phase-space area that Chapters 0.8 and 1.3 have been promising since Part 0, and checks the whole spectrum against a computation that shares no step with it. Section 7 builds a state that is not an energy eigenstate at all, moves exactly like a classical oscillator, and never changes its width. Sections 8 and 9 are worked examples and problems.

Conventions. The particle has mass mm and the oscillator angular frequency ω\omega, and every length in the chapter is measured against x0=/mωx_{0}=\sqrt{\hbar/m\omega}, which Chapter 4.5 §5.1 introduced and which is the only length \hbar, mm and ω\omega can be made into. Its partner p0=/x0p_{0}=\hbar/x_{0} is the only momentum, and x0p0=x_{0}p_{0}=\hbar. The letter nn always counts rungs and is always a non-negative integer. One result in this chapter is quoted rather than derived and it is experimental. It is the vibrational band positions of two isotopologues of hydrogen chloride, together with a bond length and three atomic masses, all used in Worked example 1. Its mark is raised at the head of §8, and nothing in §§1 to 7 is quoted at all. Worked example 1(c) additionally imports two premises that no chapter of this book derives: that the two isotopologues share a force constant, and that a reaction rate carries an Arrhenius factor. It names both where it uses them. Several marks standing in earlier chapters are leaned on and cited rather than raised again, and the closing brick lists all of it.

Tools you'll need  — Chapter 4.6 §4.2 for the identification of H^\hat H with p^2/2m+V(x^)\hat p^{2}/2m+V(\hat x), §5 for p^=id/dx\hat p=-\ii\hbar\,\dd/\dd x in the position representation, §9 for stationary states, and §10 for a packet that spreads. Chapter 4.5 §5 for the Hermite functions, their generating function and their completeness, §5.5 for which operator H^osc\hat H_{\text{osc}} actually is, and §8.2 for when an expansion in eigenstates is legitimate. Chapter 4.4 §3 for an operator as a formula together with a domain. Chapter 4.2 §8 for the canonical commutator, and §5.3 for the spread of an observable in a state. Chapter 4.7 §2 for parity and §3.5 for a zero-point energy read as an uncertainty. Chapter 1.3 §4.4 for pdq\oint p\,\dd q and the Bohr–Sommerfeld guess, and §6.3 for the algebra a commutator obeys. Chapter 1.1's Problem 2 for the reduced mass. Chapter 0.9 §6 for the bandwidth theorem and §6.5 for the functions that saturate it. Chapter 0.8 §2.1 for a first-order linear equation solved by separation, §3.1 for the dimension of a solution space, §4.2 for the classical complex amplitude, and §4.4 for the phase-space ellipse and its area. Chapter 0.5 §1.1 for the inner-product axioms and §4 for the adjoint. Chapter 0.2 §4 for the Gaussian integral.

1 · Two routes, and why only one is taken

Here is where this section is going. There are exactly two standard ways to solve the quantum oscillator, one of them is already in this book, and this chapter takes the other. By the end of this section you will know what the route not taken looks like, why skipping it costs nothing, and what the route taken is for, which is not the answer but the technique.

1.1 · The operator, and what is already settled about it

Chapter 4.6 §4.2 identified the Hamiltonian of a particle in a potential as p^2/2m+V(x^)\hat p^{2}/2m+V(\hat x), and putting the harmonic potential into it gives the operator this chapter is about:

H^  =  p^22m  +  12mω2x^2. \hat H \;=\; \frac{\hat p^{2}}{2m} \;+\; \half m\omega^{2}\hat x^{2}. (4.8.1)

Chapter 4.4 spent a chapter on the fact that a formula like this is not yet an operator, because an operator is a formula together with a domain, and that for the particle in a box the missing information was four real numbers. Here that question is already answered, and the answer is not something this chapter has to work for. Chapter 4.5 §5.5 exhibited a complete orthonormal family of eigenfunctions for (4.8.1) and used it to write the operator as multiplication by a real function in a different description, which makes it self-adjoint by construction. That section said in so many words that it was settling the question in order to save an argument here. So we may treat (4.8.1) as a genuine observable and get straight to its spectrum.

What that means has a name, and two earlier chapters gave it. Chapter 0.5's closing list said the spectral theorem would return in this part of the book as the statement that solving a system means diagonalising its Hamiltonian, and Chapter 4.2's closing list picked out this chapter as one of the places it happens. Everything below is that diagonalisation: a complete orthonormal family of eigenvectors of (4.8.1), together with the number attached to each. Section 6.4 then does the same job a second time on a computer, and the two answers are compared.

1.2 · The route already taken

The first route is the differential equation. Write (4.8.1) in the position representation, strip out the constants with the length x0=/mωx_{0}=\sqrt{\hbar/m\omega}, and the eigenvalue problem becomes u+ξ2u=εu-u''+\xi^{2}u=\varepsilon u in the dimensionless variable ξ=x/x0\xi=x/x_{0}, with ε=2E/ω\varepsilon=2E/\hbar\omega the energy measured in half-quanta. Peel off the Gaussian that the large-ξ\xi behaviour demands, write what is left as a power series, and the equation turns into a recurrence between successive coefficients. The series then has to terminate, because if it does not the coefficients eventually behave like those of e+ξ2\ee^{+\xi^{2}} and the solution is not normalisable. Termination happens only at particular ε\varepsilon, and those are the eigenvalues.

That route exists, it is standard, and it is not being taken here. Two reasons, and the first is short. The series route does two separate jobs, and this book has both of them covered elsewhere. Exhibiting the solutions is Chapter 4.5 §5's job, and it is done. That section defined the Hermite polynomials by a generating function and extracted their recurrences. It then showed that the resulting functions satisfy the equation above and read the eigenvalues off, without a single power series. Excluding every other energy is the second job, the one termination performs in the series argument, and §4 below does it with a norm instead. The guarantee that no state has been missed is Chapter 4.5 §5.4's completeness proof, which §5.5 collects. Doing a Frobenius expansion here would produce the same number from the same side of the problem, and this book does not have a theory of special functions to spend it on.

The second reason is the one that matters. The algebraic route is not a cheaper way to the same answer. It is a different technique, and the technique is what the rest of the book runs on. Chapter 5.3 quantises a field by attaching a copy of this chapter's algebra to every mode, and the integer that labels a rung becomes the number of particles present. Chapter 7.4 does the same for a vibrating string, where the rungs are the particle spectrum. Neither of those uses a Hermite polynomial anywhere. What they use is [a^,a^]=1[\hat a,\hat a^{\dagger}]=1 and what follows from it, and that is what §§2 to 4 build. This book builds every special function it needs algebraically and never by a series, here and in Chapters 4.12 and 4.13 alike, and the decision was taken once for all three.

1.3 · What Chapter 4.7 hands over

Three things were promised to this chapter by name. Here they are, collected before starting rather than after finishing.

  • The fifth exactly solvable potential. Chapter 4.7 solved four and said this is the one its method cannot reach, since the potential is nowhere constant and there are no pieces to join. What replaces matching is an algebra, and §2 is where the replacement happens.
  • One of exactly two routes onward. Once the potential stops being piecewise constant you either solve one case exactly by algebra or approximate all cases. Chapter 4.10 does the second, and this chapter's exact answer is what its approximation gets scored against.
  • The alternating parities, by a third route. Chapter 4.7 found that the states of a symmetric potential alternate even and odd up the ladder, and got it two ways: from a non-degeneracy argument in its §2.4, and from the roots of a matching condition in its §4.3. Section 5.6 below gets the same alternation for the oscillator out of the algebra alone, without looking at a single wavefunction.

What this chapter needs from Chapter 4.7 is only the shape of the answer: confinement gives a discrete ladder, the parities alternate, and the ground state does not sit at the bottom of the well. All three turn up again here, and none of them is assumed.

2 · Factorising x^2+p^2\hat x^{2}+\hat p^{2}, and what the leftover is

Here is where this section is going. We are going to try to write the energy as a product rather than a sum, because a product of two first-order objects is a far easier thing to handle than a second-order differential operator. The attempt does not quite work, and the interesting part is the amount by which it fails. That amount is the commutator of position and momentum, it is a pure number, and it is the ground-state energy of the oscillator arriving before any eigenvalue problem has been solved.

2.1 · One length, and the operator with the constants removed

Constants are in the way, and there is exactly one length that removes them. Out of \hbar, mm and ω\omega you can build precisely one quantity with the dimensions of length, and one with the dimensions of momentum:

x0=mω,p0=mω=x0,x0p0=. x_{0}=\sqrt{\frac{\hbar}{m\omega}}, \qquad p_{0}=\sqrt{\hbar m\omega}=\frac{\hbar}{x_{0}}, \qquad x_{0}p_{0}=\hbar. (4.8.2)

Chapter 4.5 §5.1 introduced the first of these for the same reason. Now define dimensionless operators by measuring against them, X^=x^/x0\hat X=\hat x/x_{0} and P^=p^/p0\hat P=\hat p/p_{0}. Two things happen at once. The Hamiltonian loses its constants, since p^2/2m=12ωP^2\hat p^{2}/2m=\half\hbar\omega\hat P^{2} and 12mω2x^2=12ωX^2\half m\omega^{2}\hat x^{2}=\half\hbar\omega\hat X^{2}, and the canonical commutator of Chapter 4.2 §8 loses its \hbar, because dividing [x^,p^]=i[\hat x,\hat p]=\ii\hbar by x0p0=x_{0}p_{0}=\hbar leaves

H^  =  ω2(X^2+P^2),[X^,P^]  =  i. \hat H \;=\; \frac{\hbar\omega}{2}\left(\hat X^{2}+\hat P^{2}\right), \qquad\qquad \big[\hat X,\hat P\big] \;=\; \ii. (4.8.3)

Everything in this chapter comes out of those two statements. The second one is Chapter 4.2's postulate P6, the one relation about position and momentum that was assumed rather than derived, wearing different units. Nothing else about the operators will be used.

2.2 · The factorisation, and the piece that will not go

We want the energy as a product, and the shape of X^2+P^2\hat X^{2}+\hat P^{2} says what product to try. For two ordinary numbers, X2+P2=(XiP)(X+iP)X^{2}+P^{2}=(X-\ii P)(X+\ii P), and the reason that identity works is that the two cross terms +iXP+\ii XP and iPX-\ii PX cancel. So write the same product with operators and watch the cancellation fail:

(X^iP^)(X^+iP^)  =  X^2+P^2  +  i(X^P^P^X^). \big(\hat X-\ii\hat P\big)\big(\hat X+\ii\hat P\big) \;=\; \hat X^{2}+\hat P^{2} \;+\; \ii\big(\hat X\hat P-\hat P\hat X\big). (4.8.4)

The cross terms do not cancel. What is left over in (4.8.4) is +i[X^,P^]+\ii\big[\hat X,\hat P\big], and (4.8.3) makes that ii=1\ii\cdot\ii=-1. Rearranging (4.8.4) to put the energy on the left carries that term across the equals sign and flips its sign, so the term standing beside the product below is i[X^,P^]-\ii[\hat X,\hat P], which is +1+1:

X^2+P^2  =  (X^iP^)(X^+iP^)  as far as factorising goes      i[X^,P^]  the leftover   \hat X^{2}+\hat P^{2} \;=\; \ann{\big(\hat X-\ii\hat P\big)\big(\hat X+\ii\hat P\big)}{as far as factorising goes} \;\ann{-\;\ii\big[\hat X,\hat P\big]}{the leftover} (4.8.5)

The sum of two squares has been written as a product, and the price of doing so is one extra term. That term is not an approximation, not a correction and not a small quantity. It is the commutator itself, and it is there for exactly the reason that position and momentum do not commute. Multiply (4.8.5) by ω/2\hbar\omega/2 and read what the price is in units of energy:

H^  =  ω2(X^iP^)(X^+iP^)  +  ω2. \hat H \;=\; \frac{\hbar\omega}{2}\big(\hat X-\ii\hat P\big)\big(\hat X+\ii\hat P\big) \;+\; \frac{\hbar\omega}{2}. (4.8.6)

The 12ω\half\hbar\omega is already here. It has arrived before any eigenvalue has been computed, before any wavefunction has been written down, and before any boundary condition has been imposed. It is the arithmetic cost of factorising a sum of two squares whose factors do not commute. Anything that later calls itself the zero-point energy of this oscillator is this term, and it can no more be removed than the commutator can. Two things are still owed before the term can be called the bottom of the spectrum rather than an offset above which the levels might start anywhere. One is that the product standing beside it in (4.8.6) is never negative, which is §4.2. The other is that a state the right-hand factor sends to zero exists at all, which is §5.2. Both are paid inside this chapter, and neither is assumed here.

2.3 · Naming the two factors

The two factors are going to be used constantly, so give them names, and choose the numerical factor in front so that the algebra afterwards is as clean as possible. Define

a^  =  12(X^+iP^)  =  mω2(x^+imωp^). \hat a \;=\; \frac{1}{\sqrt2}\big(\hat X+\ii\hat P\big) \;=\; \sqrt{\frac{m\omega}{2\hbar}}\left(\hat x+\frac{\ii}{m\omega}\hat p\right). (4.8.7)

The second form is the first one with (4.8.2) substituted back, and it is the form to use when a real mass and a real frequency are in play. The factor 1/21/\sqrt2 is a convention and §2.4 is where it earns its keep.

Now the other factor. Chapter 0.5 §4 defined the adjoint by how it moves across the inner product, and one of the three rules it derived on the spot is that (αA^)=αˉA^(\alpha\hat A)^{\dagger}=\bar\alpha\hat A^{\dagger}. Both x^\hat x and p^\hat p are self-adjoint, so taking the adjoint of X^+iP^\hat X+\ii\hat P leaves the two operators alone and conjugates the i\ii:

a^  =  12(X^iP^)  =  mω2(x^imωp^). \hat a^{\dagger} \;=\; \frac{1}{\sqrt2}\big(\hat X-\ii\hat P\big) \;=\; \sqrt{\frac{m\omega}{2\hbar}}\left(\hat x-\frac{\ii}{m\omega}\hat p\right). (4.8.8)

These two are the only new objects in the chapter's first half, and inverting the pair gives position and momentum back whenever they are wanted:

x^  =  x02(a^+a^),p^  =  p0i2(a^a^). \hat x \;=\; \frac{x_{0}}{\sqrt2}\big(\hat a+\hat a^{\dagger}\big), \qquad\qquad \hat p \;=\; \frac{p_{0}}{\ii\sqrt2}\big(\hat a-\hat a^{\dagger}\big). (4.8.9)

2.4 · The one relation everything else comes from

With the factor of 1/21/\sqrt2 in place, the commutator of the two new objects is as simple as it can be. Expanding [a^,a^][\hat a,\hat a^{\dagger}] using (4.8.7) and (4.8.8), the X^\hat X with X^\hat X and P^\hat P with P^\hat P terms commute and drop out, and what survives is

[a^,a^]  =  12(i[X^,P^]+i[P^,X^])  =  i[X^,P^]  =  1. \big[\hat a,\hat a^{\dagger}\big] \;=\; \frac{1}{2}\Big(-\ii\big[\hat X,\hat P\big]+\ii\big[\hat P,\hat X\big]\Big) \;=\; -\ii\big[\hat X,\hat P\big] \;=\; 1. (4.8.10)

That is what the 1/21/\sqrt2 bought: without it the answer would be 22, and every square root later in the chapter would carry a stray factor. And rewriting (4.8.6) with the new names, since a^a^=12(X^iP^)(X^+iP^)\hat a^{\dagger}\hat a=\half(\hat X-\ii\hat P)(\hat X+\ii\hat P),

H^  =  ω(a^a^+12). \hat H \;=\; \hbar\omega\left(\hat a^{\dagger}\hat a+\half\right). (4.8.11)

What has happened is a genuine change of problem. Equation (4.8.1) was a second-order differential operator and its eigenvalue problem was a second-order differential equation. Equation (4.8.11) is a product of two first-order objects and a constant, and the only property of those objects that the next two sections use is (4.8.10). Not their form, not the space they act on, not what x^\hat x and p^\hat p mean. One line of algebra.

⚠ Neither of these is an observable, and the domain question has not gone away

Two cautions attach to (4.8.7) and they will both be needed later, so they are worth stating at the point of definition rather than at the point of trouble.

a^\hat a is not self-adjoint, since its adjoint is a^\hat a^{\dagger} and the two are different. So it is not an observable in the sense of Chapter 4.2's postulate P2, no measurement returns a value of it, and none of the theorems that chapter proved about Hermitian operators applies to it. In particular there is no reason for its eigenvalues to be real, and §7 will build states whose a^\hat a eigenvalue is a complex number. That is not a paradox and it is not an exception. It is what happens when an operator that was never Hermitian turns out to have eigenvectors.

What is an observable is the combination a^a^\hat a^{\dagger}\hat a, whose adjoint is itself, which is why (4.8.11) is a legitimate Hamiltonian and a^\hat a on its own is not a legitimate anything.

Both are unbounded, which is Chapter 4.4's subject and not a technicality. Neither operator is defined on all of the space, and every manipulation below that moves a^\hat a across an inner product is using the adjoint relation of Chapter 0.5 §4 on vectors where both sides make sense. The states this chapter actually works with are the Hermite functions of §5 and finite combinations of them, and on those everything is finite, because each is a polynomial times a Gaussian and the ladder maps that set to itself. Section 7 then builds states that are infinite combinations, and §7.2 checks the condition for those separately rather than assuming it carries over. The restriction is stated out loud in §4.2 below, where it does real work, and §7.2 is the only other place it has to be met.

In plain terms 4.8.1

The energy of an oscillator is a sum of two squares, one for the motion and one for the stretch. For ordinary numbers a sum of two squares can be written as a product of two factors, and the reason is that the two cross terms in the product cancel each other. That trick is worth wanting here, because a product of simple things is far easier to work with than a sum of squares of complicated things.

Try it with position and momentum and the cancellation almost happens. The two cross terms do not quite kill each other, because the order in which you write position and momentum matters, and the difference between the two orders is the one thing quantum mechanics insisted on at the start. So the factorisation is correct apart from a single leftover term, and the leftover is precisely that difference.

Now look at the size of the leftover in units of energy. It is half of Planck's constant times the frequency, and it is exactly the amount by which the lowest state of an oscillator sits above the bottom of its well. That number has not been calculated yet. It has fallen out of an attempt to write a sum of two squares as a product, which is the closest this book comes to saying that the zero-point energy is a piece of arithmetic rather than a piece of physics.

3 · The ladder

Here is where this section is going. We have a Hamiltonian built out of two objects satisfying one commutation relation. What we want from them is motion between eigenstates: an operation that takes a state of definite energy and hands back another one, higher up. That operation exists, one commutator proves it in two lines, and the manoeuvre that does it runs three more times before this book ends.

3.1 · The number operator

The combination that appears in (4.8.11) deserves its own name, because every question about the energy is now a question about it. Define

N^  =  a^a^,H^  =  ω(N^+12). \hat N \;=\; \hat a^{\dagger}\hat a, \qquad\qquad \hat H \;=\; \hbar\omega\left(\hat N+\half\right). (4.8.12)

Its adjoint is (a^a^)=a^a^(\hat a^{\dagger}\hat a)^{\dagger}=\hat a^{\dagger}\hat a, using Chapter 0.5 §4's rule that taking the adjoint of a product reverses it, so N^\hat N is symmetric. And because H^\hat H is N^\hat N multiplied by a positive constant and shifted by another, the two have exactly the same eigenvectors, with eigenvalues related by E=(ν+12)ωE=(\nu+\half)\hbar\omega. So the entire problem is now to find the eigenvalues of N^\hat N. We do not yet know that they are integers, and it would be circular to call them nn before showing it, so write ν\nu for a generic eigenvalue and let the algebra decide what ν\nu can be.

3.2 · Two commutators

To move between eigenstates of N^\hat N we need to know how N^\hat N reacts when a^\hat a^{\dagger} is pushed past it, which is exactly what a commutator records. Compute it from (4.8.10) alone. Since a^\hat a^{\dagger} commutes with itself, the only thing to move is the a^\hat a:

[N^,a^]  =  a^[a^,a^]  =  a^,[N^,a^]  =  [a^,a^]a^  =  a^. \big[\hat N,\hat a^{\dagger}\big] \;=\; \hat a^{\dagger}\big[\hat a,\hat a^{\dagger}\big] \;=\; \hat a^{\dagger}, \qquad\qquad \big[\hat N,\hat a\big] \;=\; \big[\hat a^{\dagger},\hat a\big]\hat a \;=\; -\hat a. (4.8.13)

Neither line needs an identity quoted from anywhere. Writing the first one out, a^a^a^a^a^a^\hat a^{\dagger}\hat a\hat a^{\dagger}-\hat a^{\dagger}\hat a^{\dagger}\hat a has a common factor of a^\hat a^{\dagger} on the left, and what remains inside is a^a^a^a^\hat a\hat a^{\dagger}-\hat a^{\dagger}\hat a, which is (4.8.10). The second goes the same way with the common factor on the right. Chapter 1.3 §6.3 noted that a commutator obeys the Leibniz rule exactly as a Poisson bracket does, and this is that rule used once. The two relations differ only in sign, so it is enough to follow the first and read the second off at the end.

3.3 · What a commutator like that does

A commutator is a difference of two orderings, and the use of one is that it lets you move an operator through another at the cost of a known remainder. Here the remainder is the operator itself, and that is what makes the relation powerful. Suppose ν\ket\nu is an eigenvector of N^\hat N with eigenvalue ν\nu. Ask what N^\hat N does to the vector a^ν\hat a^{\dagger}\ket\nu, and use (4.8.13) to move N^\hat N past a^\hat a^{\dagger} so that it lands on the eigenvector, where we know what it does:

N^(a^ν)  =  (a^N^+a^)ν  =  (ν+1)a^ν. \hat N\big(\hat a^{\dagger}\ket\nu\big) \;=\; \big(\hat a^{\dagger}\hat N+\hat a^{\dagger}\big)\ket\nu \;=\; \big(\nu+1\big)\,\hat a^{\dagger}\ket\nu. (4.8.14)

That line is the whole of the method. The vector a^ν\hat a^{\dagger}\ket\nu is again an eigenvector of N^\hat N, and its eigenvalue is one greater. Running the same two lines with [N^,a^]=a^[\hat N,\hat a]=-\hat a gives the mirror statement, that a^ν\hat a\ket\nu has eigenvalue ν1\nu-1. So the two operators move a state up and down a ladder of eigenvalues spaced exactly one apart, which in energy is a ladder spaced ω\hbar\omega apart.

One qualification has to be attached now rather than later, because §4 turns on it. Equation (4.8.14) is an identity between vectors, and the zero vector satisfies it as readily as any other. So the honest reading is that a^ν\hat a^{\dagger}\ket\nu is either an eigenvector with eigenvalue ν+1\nu+1 or the zero vector, which is not a state at all. The same disjunction holds downward. Everything interesting about the oscillator's spectrum comes from asking when the second alternative happens.

3.4 · The move, named once, because it happens three more times

Nothing in §3.3 used the oscillator. Strip the physics out and what remains is a pattern with three ingredients: an operator N^\hat N whose eigenvalues you want, a second operator A^\hat A, and a commutation relation [N^,A^]=λA^[\hat N,\hat A]=\lambda\hat A for some number λ\lambda. Whenever those three hold, A^\hat A carries eigenvectors of N^\hat N to eigenvectors of N^\hat N with the eigenvalue shifted by λ\lambda, and the proof is (4.8.14) with the letters changed. Call it a commutator that shifts an eigenvalue. It runs three more times in this book, and each time the algebra around it is heavier and the shape harder to see, so here are the three in advance.

  • Chapter 4.11 §4 runs it on angular momentum. There N^\hat N is J^z\hat J_{z}, the shifting operators are J^±=J^x±iJ^y\hat J_{\pm}=\hat J_{x}\pm\ii\hat J_{y}, and the relation is [J^z,J^±]=±J^±[\hat J_{z},\hat J_{\pm}]=\pm\hbar\hat J_{\pm}. The extra work in that chapter is that the ladder has to close at both ends rather than one, and the argument that closes it is §4 below run twice.
  • Chapter 4.13 §4 runs it on hydrogen. There the shifting operator carries you between different values of the orbital angular momentum at fixed energy, and it is built by factorising the radial Hamiltonian the way §2 factorised this one. It is the same manoeuvre, and that chapter says so.
  • Chapter 7.3 builds the Virasoro algebra out of oscillator commutators, and Chapter 7.4 quantises the string with it, where the operator counting rungs is the one whose eigenvalue fixes a particle's mass. The algebra there is this chapter's with an index running over the string's modes.

So the move appears twice more inside the next five chapters and once more in Part VII. The reason to name it here, on the smallest example there is, is that here the whole content is (4.8.10) and a two-line calculation. By Chapter 4.11 there are three operators, a Casimir and a sign convention in the way, and a reader who has not been told what to look for will read the algebra instead of the shape.

4 · Why it stops

Here is where this section is going. Section 3 built a machine that lowers the eigenvalue by one every time it is applied, and nothing so far stops it running forever into negative numbers. Something must, and the something is not a physical argument, an appeal to a boundary condition, or a statement that the energy ought to be positive. It is that a length cannot be negative. By the end of this section the spectrum will be in hand, derived from (4.8.10) and one axiom of the inner product.

4.1 · The problem, stated sharply

Suppose N^ν=νν\hat N\ket\nu=\nu\ket\nu with ν\ket\nu a genuine non-zero state. Apply a^\hat a once and, by §3.3, you have a state with eigenvalue ν1\nu-1 or the zero vector. Apply it kk times and you have a state with eigenvalue νk\nu-k or the zero vector. If the zero vector never turns up, then choosing kk larger than ν\nu produces an eigenvector of N^\hat N with a negative eigenvalue, and choosing kk larger still produces one as negative as you please. Nothing in §3 forbids that. The spectrum would run down without end, the energies with it, and the oscillator would have no ground state.

So the question is not whether the ladder terminates. The question is what could possibly terminate it, and most books answer with a sentence to the effect that it must stop somewhere. It does not have to stop somewhere. It stops because of the following.

4.2 · A norm is not negative, and that is the whole argument

We want a lower bound on ν\nu, so look for a quantity that is manifestly non-negative and that has N^\hat N in it. There is one, and it is the length of the vector a^ψ\hat a\ket\psi. Chapter 0.5 §1.1 laid down the axioms of an inner product, and the last of them is that v,v0\avg{v,v}\ge0 for every vector, with equality only for the zero vector. That is not a theorem about quantum mechanics. It is part of what the word length means. Apply it to a^ψ\hat a\ket\psi and move one factor of a^\hat a across the inner product using Chapter 0.5 §4's defining property of the adjoint:

a^ψ2  =  a^ψ,a^ψ  =  ψ,a^a^ψ  =  ψ,N^ψ    0. \norm{\hat a\ket\psi}^{2} \;=\; \avg{\hat a\psi,\hat a\psi} \;=\; \avg{\psi,\hat a^{\dagger}\hat a\,\psi} \;=\; \avg{\psi,\hat N\psi} \;\ge\; 0. (4.8.15)

The middle step is the only one carrying a condition, and the condition is the domain question flagged in §2.4: it needs ψ\ket\psi to be in the domain of a^\hat a and a^ψ\hat a\ket\psi in the domain of a^\hat a^{\dagger}. For the vectors this section is about, the eigenvectors of N^\hat N, both hold automatically. The operator N^=a^a^\hat N=\hat a^{\dagger}\hat a is a product, and the domain of a product is by definition the set of vectors the two factors can be applied to in turn. That is what Chapter 4.4 §3 means by an operator being a formula together with a domain. Calling ν\ket\nu an eigenvector of N^\hat N already says that ν\ket\nu lies in the domain of N^\hat N, so it is one of those vectors, and nothing about which ν\nu it belongs to has entered. That matters for §4.3, which applies (4.8.15) to a hypothetical eigenvector that is deliberately not one of §5's states. Section 5's states satisfy both conditions as well, being polynomials times a Gaussian, so (4.8.15) also says that the expectation value of N^\hat N is non-negative in every state this chapter writes down. Now take ψ\ket\psi to be the eigenvector ν\ket\nu itself. The right-hand side is νν2\nu\norm{\ket\nu}^{2}, the norm on the right is a positive number because ν\ket\nu is not the zero vector, and therefore

ν  =  a^ν2ν2    0. \nu \;=\; \frac{\norm{\hat a\ket\nu}^{2}}{\norm{\ket\nu}^{2}} \;\ge\; 0. (4.8.16)

No eigenvalue of N^\hat N is negative. That is the bound the ladder needs, and notice what produced it. Not the form of the potential, not the behaviour of a wavefunction at infinity, not any claim about energies being positive. The positivity of the spectrum of a^a^\hat a^{\dagger}\hat a is the positivity of v,v\avg{v,v}, which is an axiom of the inner product and was written down in Chapter 0.5 before quantum mechanics appeared in this book at all.

4.3 · Closing the argument

Now put §4.1 and §4.2 together. Suppose ν\nu is an eigenvalue and is not a non-negative integer. A negative ν\nu is excluded by (4.8.16) at once, so the case to rule out is a positive ν\nu that is not a whole number. Descending gives eigenvalues ν1,ν2,\nu-1,\nu-2,\dots, and the descent can only be stopped by hitting the zero vector, which by (4.8.16) read backwards happens only when the eigenvalue being lowered from is zero. A number that is not a whole number never becomes zero by having whole numbers subtracted from it, so the descent is never stopped and eventually produces a negative eigenvalue. That contradicts (4.8.16). Hence every eigenvalue of N^\hat N is a non-negative integer, and we may finally call it nn.

The converse direction needs one more line, since so far we know only which values are permitted, not which occur. Suppose a state 0\ket 0 exists with a^0=0\hat a\ket 0=0. Then N^0=a^a^0=0\hat N\ket 0=\hat a^{\dagger}\hat a\ket 0=0, so it has eigenvalue zero, and climbing from it produces eigenvalue nn at the nn-th step provided the climb never dies. It never does: by the same move as (4.8.15), with a^a^=N^+1\hat a\hat a^{\dagger}=\hat N+1 from (4.8.10),

a^n2  =  n,a^a^n  =  (n+1)n2  >  0. \norm{\hat a^{\dagger}\ket n}^{2} \;=\; \avg{n,\hat a\hat a^{\dagger}\,n} \;=\; (n+1)\norm{\ket n}^{2} \;\gt\; 0. (4.8.17)

So each rung is genuinely occupied, and the ladder is unbounded above and stops dead below. All of it rests on a state annihilated by a^\hat a existing at all, which is not yet proved. Section 5 proves it by solving one first-order differential equation, and finds exactly one solution.

4.4 · The spectrum

Substituting the permitted values of N^\hat N into (4.8.12) gives the result the chapter was built to reach:

  En  =  (n+12)ω,n=0,1,2,   \boxed{\;E_{n} \;=\; \left(n+\half\right)\hbar\omega, \qquad n=0,1,2,\dots\;} (4.8.18)

Everything that went into it was: the canonical commutator, the definition of the adjoint, and the non-negativity of a norm. No series was summed and no boundary condition was imposed, and the only differential equation anywhere in the chapter is §5.2's, which is first order and settles nothing but whether the bottom rung exists. That is the sense in which this is a different technique and not a shorter road to the same one.

Three debts fall due here. Chapter 0.8's closing brick promised ladder operators, and the 12ω\tfrac12\hbar\omega that will not go away, and it does not go away because §2.2 showed it is the commutator. Chapter 1.3 §4.4 imposed the Bohr–Sommerfeld condition on the classical phase-space area, got En=(n+12)ωE_{n}=(n+\tfrac12)\hbar\omega, and marked the condition itself as quoted forward to this chapter, saying the result would be derived here exactly, with ladder operators and no semiclassical approximation. It has been. Section 6 closes that loop from the other end by computing the area. And Chapter 4.5 §5.2, having produced the same eigenvalues from the Hermite side, said that this chapter would produce them a second way and get the same number.

The last of the three is the reason for doing a calculation twice, and it takes a paragraph. The two derivations share no step. Chapter 4.5 defined a family of polynomials by a generating function, differentiated it twice to get recurrences, assembled a differential equation and read the eigenvalue off the coefficient. This chapter wrote one commutator and used the fact that a length is not negative. They have the operator in common and nothing else, and they agree. An answer reached twice by disjoint routes carries more weight than an answer reached once by either, and more still when one of the routes generalises to field theory and the other does not.

4.5 · The rungs, normalised

Before going further we need to know not only that a^\hat a^{\dagger} moves up a rung but by how much it stretches the vector, because §§5 to 7 all compute with these. Equation (4.8.17) already has the answer for the upward move, and running the same line downward with (4.8.15) gives a^n2=n\norm{\hat a\ket n}^{2}=n when n\ket n is normalised. So a^n\hat a^{\dagger}\ket n has length n+1\sqrt{n+1} and a^n\hat a\ket n has length n\sqrt n. Each is a multiple of the neighbouring normalised state, and only one of the two multiples is free. Define n+1\ket{n+1} to be a^n/n+1\hat a^{\dagger}\ket n/\sqrt{n+1}, which fixes that phase to +1+1 at every rung. The downward relation then follows rather than being chosen a second time, since a^n+1=a^a^n/n+1=(N^+1)n/n+1=n+1n\hat a\ket{n+1}=\hat a\hat a^{\dagger}\ket n/\sqrt{n+1}=(\hat N+1)\ket n/\sqrt{n+1}=\sqrt{n+1}\ket n, with the same sign:

a^n  =  n+1n+1,a^n  =  nn1. \hat a^{\dagger}\ket n \;=\; \sqrt{n+1}\,\ket{n+1}, \qquad\qquad \hat a\ket n \;=\; \sqrt{n}\,\ket{n-1}. (4.8.19)

The second relation at n=0n=0 reads a^0=0\hat a\ket0=0, which is the terminating condition of §4.3 written in the new notation. Iterating the first from the bottom expresses every state in terms of the lowest one, with the factorials coming from the product of the square roots:

n  =  (a^)nn!0. \ket n \;=\; \frac{\big(\hat a^{\dagger}\big)^{n}}{\sqrt{n!}}\,\ket 0. (4.8.20)

One thing this does not yet establish is that each rung holds exactly one state. The algebra shows that a state at rung nn descends to a state at rung 00, so the number of independent states at rung nn is at most the number at rung 00, which is the dimension of the space of solutions of a^0=0\hat a\ket0=0. That dimension is shown to be one in §5.2 below, and non-degeneracy follows.

In plain terms 4.8.2

Two operations have been built. One raises the energy of a state by a fixed step and the other lowers it by the same step, and the fixed step is Planck's constant times the frequency. That much is a matter of pushing one operator past another and collecting the remainder, and it involves no picture of the system at all.

The obvious worry is that lowering can be repeated forever, which would give states of arbitrarily negative energy and no lowest one. What rules that out is a fact about lengths. Apply the lowering operation to a state that sits on a definite rung, and the squared length of the result turns out to be exactly the rung number you started from. A squared length cannot be negative. So no rung is below zero, and the only way the descent can be stopped is by reaching a state the lowering operation sends to nothing at all.

That is the whole reason the energies of an oscillator are a discrete evenly spaced ladder starting half a step above the bottom of the well. The spacing comes from a commutator, the floor comes from a length being non-negative, and the half step comes from the failed factorisation of §2. It is worth noticing how little was used. Nothing here refers to a spring, a wavefunction, or the shape of the potential beyond the two lines it took to set the problem up.

a natural place to stop  ·  the spectrum is derived and the algebra is finished; what follows turns the same two operators on the wavefunctions, the classical orbit, and a state that moves

5 · The wavefunctions, from a^0=0\hat a\ket0=0

Here is where this section is going. We have a spectrum but no functions, and one thing still owed from §4.3: that a state killed by a^\hat a exists and is unique. Both are settled by the same short calculation, and the calculation is the payoff of the whole method. A second-order eigenvalue problem with infinitely many solutions to find has become one first-order equation, solved once, plus an algebra that generates the rest. By the end of the section the states will be identified with Chapter 4.5's Hermite functions, and their parities will have been read off without looking at any of them.

5.1 · One first-order equation

To turn a^0=0\hat a\ket0=0 into something solvable we need a^\hat a as a differential operator, which means going to the position representation. Chapter 4.6 §5 established that there p^\hat p acts as id/dx-\ii\hbar\,\dd/\dd x and x^\hat x as multiplication by xx. Substituting both into (4.8.7) and writing everything in the dimensionless ξ=x/x0\xi=x/x_{0} turns the operator into

a^  =  12(ξ+ddξ),a^  =  12(ξddξ). \hat a \;=\; \frac{1}{\sqrt2}\left(\xi+\dv{}{\xi}\right), \qquad\qquad \hat a^{\dagger} \;=\; \frac{1}{\sqrt2}\left(\xi-\dv{}{\xi}\right). (4.8.21)

The relative sign is the one place to be careful, and it comes from the i\ii in (4.8.7) meeting the i\ii in p^\hat p. Checking (4.8.10) against these two expressions directly costs one line: applying (ξ+d/dξ)(ξd/dξ)(\xi+\dd/\dd\xi)(\xi-\dd/\dd\xi) and its reverse to a test function and subtracting leaves 22, and the halves in front make it 11.

5.2 · Solving it, and why the solution is unique

Now write out a^ψ0=0\hat a\psi_{0}=0. The 1/21/\sqrt2 multiplies zero and can be dropped, leaving

dψ0dξ  =  ξψ0. \dv{\psi_{0}}{\xi} \;=\; -\,\xi\,\psi_{0}. (4.8.22)

This is a first-order linear equation with separable variables, which Chapter 0.8 §2.1 solved in general: divide by ψ0\psi_{0}, integrate both sides, exponentiate. Doing that gives lnψ0=ξ2/2+const\ln\psi_{0}=-\xi^{2}/2+\text{const}, and fixing the constant with Chapter 0.2 §4's Gaussian integral,

ψ0(x)  =  (mωπ)1/4exp ⁣(mωx22)  =  x01/2π1/4eξ2/2. \psi_{0}(x) \;=\; \left(\frac{m\omega}{\pi\hbar}\right)^{1/4}\exp\!\left(-\frac{m\omega x^{2}}{2\hbar}\right) \;=\; x_{0}^{-1/2}\,\pi^{-1/4}\,\ee^{-\xi^{2}/2}. (4.8.23)

The x01/2x_{0}^{-1/2} is the whole difference between the two forms, and every wavefunction after this one is written in the second of them. The left-hand form is normalised against dx\dd x and therefore carries the dimensions of an inverse square root of length. The right-hand form pulls that dimension out into x01/2x_{0}^{-1/2} and leaves a dimensionless function of ξ\xi, normalised against dξ\dd\xi. From here on the states are the dimensionless factors, and getting back to a function of xx means restoring the x01/2x_{0}^{-1/2} and reading ξ\xi as x/x0x/x_{0}.

Two things follow at once. First, the ground state is a Gaussian, which is going to matter twice more in this chapter, at §6.1 and again at §7. Second, and this is what §4.5 was waiting for, the solution is unique up to a constant multiple. Chapter 0.8 §3.1 showed that the solution space of a homogeneous linear differential equation has dimension equal to its order, and (4.8.22) is of order one. So a^\hat a kills a one-dimensional space of functions, there is exactly one normalised ground state, and therefore exactly one state at every rung. The oscillator's spectrum is non-degenerate, and the reason is that a first-order equation has a one-parameter family of solutions.

Chapter 0.8 opened by promising that its central sentence, that a linear differential equation is an eigenvalue problem, would appear three times in different costumes, and named this chapter as one of them. Here is the costume. The eigenvalue problem that does the work is not the second-order one that the Hamiltonian looks like. It is (4.8.22), first order, with the eigenvalue zero, and an algebra supplies everything else.

The effort saved is easy to measure. The eigenvalue problem for (4.8.1) is a second-order equation, one for each of infinitely many eigenvalues, with normalisability deciding which of them are allowed. What replaced it was (4.8.22), solved once in three lines, plus (4.8.20).

5.3 · Climbing

With the ground state in hand, every other state follows from (4.8.20). In the position representation that reads

ψn(ξ)  =  1n![12(ξddξ)]nπ1/4eξ2/2. \psi_{n}(\xi) \;=\; \frac{1}{\sqrt{n!}}\left[\frac{1}{\sqrt2}\left(\xi-\dv{}{\xi}\right)\right]^{n}\pi^{-1/4}\ee^{-\xi^{2}/2}. (4.8.24)

Doing the first two by hand shows the pattern. Applying the operator once, the derivative of the Gaussian brings down a factor ξ-\xi, which adds to the ξ\xi already there: ψ1=2ξπ1/4eξ2/2\psi_{1}=\sqrt2\,\xi\,\pi^{-1/4}\ee^{-\xi^{2}/2}. Applying it again and dividing by 2\sqrt2 gives ψ2=(2ξ21)π1/4eξ2/2/2\psi_{2}=(2\xi^{2}-1)\pi^{-1/4}\ee^{-\xi^{2}/2}/\sqrt2. In every case a polynomial multiplies the same Gaussian, and the polynomial gains one degree at each step, because the operator either multiplies by ξ\xi or differentiates.

5.4 · These are the Hermite functions, and that is a derived fact

The polynomials just generated look like the Hermite polynomials of Chapter 4.5, and they are, but saying so needs an argument rather than an appeal to appearance. The argument is one line and it uses a result that chapter proved about polynomials, not about eigenvalues.

Chapter 4.5 §5.2 defined HnH_{n} by a generating function and derived, in its grind box, the identity Hn+1=2ξHnHnH_{n+1}=2\xi H_{n}-H_{n}'. Write un=Hn(ξ)eξ2/2u_{n}=H_{n}(\xi)\ee^{-\xi^{2}/2} and apply the raising operator of (4.8.21) to it. The derivative hits both factors, and the Gaussian contributes ξun-\xi u_{n}, which cancels one of the two ξ\xi terms:

(ξddξ)un  =  (2ξHnHn)eξ2/2  =  Hn+1eξ2/2  =  un+1. \left(\xi-\dv{}{\xi}\right)u_{n} \;=\; \big(2\xi H_{n}-H_{n}'\big)\ee^{-\xi^{2}/2} \;=\; H_{n+1}\ee^{-\xi^{2}/2} \;=\; u_{n+1}. (4.8.25)

The raising operator is the Hermite recurrence. That is the identification, and the normalisation follows from it. Chapter 4.5 §5.1 normalised its functions as hn=un/2nn!πh_{n}=u_{n}/\sqrt{2^{n}n!\sqrt\pi}, and dividing (4.8.25) by that constant and by the 2\sqrt2 in (4.8.21) turns the coefficient into 2n+1(n+1)!/(22nn!)=n+1\sqrt{2^{n+1}(n+1)!}/(\sqrt2\sqrt{2^{n}n!})=\sqrt{n+1}, which is precisely (4.8.19). Since h0=π1/4eξ2/2h_{0}=\pi^{-1/4}\ee^{-\xi^{2}/2} agrees with (4.8.23), induction gives ψn=hn\psi_{n}=h_{n} for every nn, including the sign and the constant.

What has and has not been imported needs stating precisely. The recurrence used above is a statement about a family of polynomials. It says nothing about energies. The eigenvalues of this chapter came out of (4.8.10) and (4.8.16) and would be what they are if Chapter 4.5 had never been written. What §5.4 adds is that the functions produced by the two routes are the same functions, which is a check the calculation could have failed and did not.

5.5 · Completeness, cited and not reproved

One question remains and this chapter does not answer it, because it has already been answered. Are these all the states? The ladder produces one state per rung and the algebra says nothing about whether some other vector of the space lies outside all of them. Chapter 4.5 §5.4 proved that no non-zero vector is orthogonal to every Hermite function, its §5.5 used that to complete the spectral verification for this exact operator, and its §5.6 stated how far the verification reaches. Chapter 4.3's closing brick promised in writing that this would happen, and said what would follow from it, which is that the present chapter expands in the Hermite functions freely.

So we do, from here on, and the licence is Chapter 4.5's rather than this chapter's. Any state of the oscillator may be written ψ=ncnn\ket\psi=\sum_{n}c_{n}\ket n with cn2\sum\abs{c_{n}}^{2} finite, the sum converges in the norm, and Chapter 4.5 §8.2 lists what may then safely be done with it. Section 7 uses that licence hard, and it is the only place in the chapter that needs it. This also collects a promise made a long way back: Chapter 0.5 said that applying its orthogonalisation procedure with a weight ex2\ee^{-x^{2}} on the whole line produces the Hermite polynomials, and that those are the quantum harmonic oscillator states of this chapter. They are, and (4.8.24) is how they got here without an orthogonalisation being run.

5.6 · The parities, by a third route

Chapter 4.7 §2 built parity, the operator Π^\hat\Pi that reflects a function through the origin, and showed it commutes with the Hamiltonian whenever the potential is even. The oscillator's is, so its states must each be even or odd, and Chapter 4.7 §3.3 said this chapter would find the alternation by a third route. Here it is, and the route uses no wavefunction.

Reflection reverses position and momentum, which in operator terms is Π^x^Π^=x^\hat\Pi\hat x\hat\Pi=-\hat x and Π^p^Π^=p^\hat\Pi\hat p\hat\Pi=-\hat p, using Π^2=I^\hat\Pi^{2}=\hat I. Both appear linearly in (4.8.8), so the raising operator reverses too:

Π^a^Π^  =  a^,andΠ^0  =  0, \hat\Pi\,\hat a^{\dagger}\,\hat\Pi \;=\; -\hat a^{\dagger}, \qquad\text{and}\qquad \hat\Pi\ket 0 \;=\; \ket 0, (4.8.26)

the second because (4.8.23) is a Gaussian in x2x^{2} and is therefore unchanged by xxx\to-x. Now apply Π^\hat\Pi to (4.8.20) and slide it through the nn copies of a^\hat a^{\dagger}, inserting Π^2=I^\hat\Pi^{2}=\hat I between each pair. Each passage costs a minus sign and the last Π^\hat\Pi lands on 0\ket0 and does nothing, so

Π^n  =  (1)nn. \hat\Pi\ket n \;=\; (-1)^{n}\ket n. (4.8.27)

The parities alternate up the ladder starting even, exactly as they did in the infinite well and in the finite well. Three routes to the same fact now exist: Chapter 4.7 §2.4 got it from the non-degeneracy of bound states in one dimension, its §4.3 got it from which branch of a transcendental condition each root lies on, and this got it from moving one operator past another. Chapter 4.7 §2.5 listed the places parity gets spent, and Chapters 4.16 and 4.17 will spend it on states of this chapter's ladder in particular.

One corollary is free. The degree of HnH_{n} is exactly nn, which Chapter 4.5 §5.4 established from the recurrence, so ψn\psi_{n} has at most nn zeros. Combined with (4.8.27), those zeros come in pairs at ±ξ\pm\xi, apart from a possible one at the origin, which every odd state has. The numerically computed states in §6.5's figure carry exactly nn of them. The infinite well gave the same count, but the two chapters start their counters in different places, so the agreement needs stating in a form neither convention owns. In both problems, the state kk rungs above the lowest has exactly kk interior zeros. Chapter 4.7 numbers that state n=k+1n=k+1 and this chapter numbers it n=kn=k.

In plain terms 4.8.3

Finding the states of an oscillator would ordinarily mean solving a second-order differential equation once for every energy level, with the requirement that the answer stay finite doing the work of picking out which energies are allowed. The method of this chapter replaces all of that with one first-order equation. Ask which function the lowering operation destroys, and you are asking for a function whose slope is minus its position times itself, which separates and integrates in three lines. The answer is a bell curve.

Every other state is then made by applying the raising operation to that bell curve as many times as you like. Each application multiplies by the coordinate and subtracts a derivative, so each one adds one power to a polynomial sitting in front of the same bell curve. Those polynomials are exactly the ones Chapter 4.5 built from a generating function, and the raising operation turns out to be their recurrence relation, which is a fact worth checking rather than assuming, since the two constructions had no reason to agree.

Two further things come out for nothing. Because a first-order equation has a one-parameter family of solutions, there is exactly one lowest state, and therefore exactly one state on every rung. And because reflecting through the origin reverses both position and momentum, it reverses the raising operation as well, so each rung is the opposite of the one below in its behaviour under reflection. Even, odd, even, odd, all the way up, established without drawing a single one of them.

6 · The phase-space area, collected

Here is where this section is going. The classical oscillator of Chapter 0.8 traced an ellipse in phase space, and the area of that ellipse was computed there and left with an explicit promise attached to it. This section pays the promise. First we measure how large a quantum state is in position and in momentum, which turns out to place it exactly on the classical ellipse of the same energy. Then we compute the enclosed area and find that it is (n+12)h(n+\half)h, which is what Chapter 1.3 guessed semiclassically and what this chapter has now derived without guessing. The section ends with a numerical check of the entire spectrum that shares no step with any of the above.

6.1 · How big is a state

We want the spread of position and of momentum in the state n\ket n, and (4.8.9) makes both easy, because it turns a question about x^\hat x into a question about which rungs the operators connect. Start with the means. Since a^\hat a lowers a rung and a^\hat a^{\dagger} raises one, both send n\ket n to a state orthogonal to n\ket n, so nx^n\avg{n|\hat x|n} and np^n\avg{n|\hat p|n} are both zero, at every rung. No energy eigenstate of an oscillator is anywhere in particular, and none of them is moving. Section 7 exists to fix that.

For the squares, expand x^2\hat x^{2} from (4.8.9). Four products appear. The terms a^2\hat a^{2} and (a^)2(\hat a^{\dagger})^{2} move two rungs and contribute nothing to a diagonal expectation value, and the two surviving terms are a^a^=N^+1\hat a\hat a^{\dagger}=\hat N+1 and a^a^=N^\hat a^{\dagger}\hat a=\hat N, whose sum in the state n\ket n is 2n+12n+1:

x^2  =  x022(2n+1)  =  (n+12)mω,p^2  =  (n+12)mω. \avg{\hat x^{2}} \;=\; \frac{x_{0}^{2}}{2}\,(2n+1) \;=\; \left(n+\half\right)\frac{\hbar}{m\omega}, \qquad \avg{\hat p^{2}} \;=\; \left(n+\half\right)\hbar m\omega. (4.8.28)

The second comes out of the same expansion. Squaring the momentum in (4.8.9) puts an overall minus sign in front, from the i2\ii^{2}, and also flips the sign of the two terms that survive on the diagonal, so the two changes cancel and the answer differs from the first only in carrying p02p_{0}^{2} rather than x02x_{0}^{2}. Two consequences are immediate. Since the means vanish, the spreads of Chapter 4.2 §5.3 are the square roots of these, and their product is

ΔxΔp  =  (n+12). \Delta x\,\Delta p \;=\; \left(n+\half\right)\hbar. (4.8.29)

At the bottom rung that is /2\hbar/2, and that number has already been met. Chapter 0.9 §6's bandwidth theorem bounds the product of a function's width and its transform's width from below, and Chapter 4.6 §10.2 turned that into ΔxΔp/2\Delta x\,\Delta p\ge\hbar/2 using the single substitution p=kp=\hbar k. So the ground state sits exactly on a bound proved before quantum mechanics entered the argument. Chapter 0.9 §6.5 went further and showed that the only functions attaining it are Gaussians, and (4.8.23) is a Gaussian, so the two statements agree and neither was arranged to. The general inequality for an arbitrary pair of observables belongs to Chapter 4.9 §2 and is not needed here. What this section has is one instance, computed exactly, before the theorem arrives, which is the order this book prefers wherever it can get it.

The other consequence is a check on the arithmetic that costs nothing. The mean kinetic energy is p^2/2m=14(2n+1)ω\avg{\hat p^{2}}/2m=\tfrac14(2n+1)\hbar\omega and the mean potential energy is 12mω2x^2\half m\omega^{2}\avg{\hat x^{2}}, which is the same number. So the energy divides equally between the two, at every rung, and the sum is EnE_{n} as it must be.

6.2 · The ellipse, rationed

Now bring in the classical picture, because the numbers in (4.8.28) are about to land on it exactly. Chapter 0.8 §4.4 plotted the classical oscillator's state as a point (x,p)(x,p) and found that energy conservation confines it to an ellipse, p2/2mE+x2/(2E/mω2)=1p^{2}/2mE+x^{2}/(2E/m\omega^{2})=1. Substitute the two quantum averages into the left-hand side, at energy E=EnE=E_{n}. Each term contributes exactly one half, and

p^22mEn  +  x^22En/mω2  =  12+12  =  1. \frac{\avg{\hat p^{2}}}{2mE_{n}} \;+\; \frac{\avg{\hat x^{2}}}{2E_{n}/m\omega^{2}} \;=\; \half+\half \;=\; 1. (4.8.30)

The root-mean-square point of the quantum state sits on the classical orbit of the same energy. That is not an approximation and it does not require nn to be large. It holds at n=0n=0, where the state has no classical counterpart at all.

Chapter 0.8 §4.4 then computed the area the ellipse encloses, getting A=2πE/ω\mathcal A=2\pi E/\omega, and Chapter 1.3 §4.4 wrote the same quantity as the loop integral pdq\oint p\,\dd q and made it the central object of its phase-space section. Verified symbolically: integrating p=2m(E12mω2q2)p=\sqrt{2m(E-\half m\omega^{2}q^{2})} around the closed orbit returns 2πE/ω2\pi E/\omega exactly. Now put the derived spectrum (4.8.18) into it, and use h=2πh=2\pi\hbar:

pdq  =  2πEnω  =  2π(n+12)  =  (n+12)h. \oint p\,\dd q \;=\; \frac{2\pi E_{n}}{\omega} \;=\; 2\pi\left(n+\half\right)\hbar \;=\; \left(n+\half\right)h. (4.8.31)

Three promises are paid by that line. Chapter 0.8 §4.4 said that the classical ellipse is not replaced by quantum mechanics but rationed, and its closing brick called the area the area that Chapter 4.8 will quantise. Chapter 1.3 §4.4 marked the Bohr–Sommerfeld condition as quoted forward to here. And Chapter 1.3 said of its three observations that this chapter would confirm them by an exact operator calculation that uses none of this reasoning, which is a strong claim. Sections 2 to 4 used a commutator, an adjoint and the non-negativity of a norm. No orbit appeared, no adiabatic invariant, no correspondence argument and no appeal to large quantum numbers. The claim holds.

Equation (4.8.31) reads two ways. Successive allowed orbits enclose areas differing by exactly hh, so the ring between one orbit and the next has area equal to Planck's constant, always, everywhere on the ladder. And the innermost orbit encloses h/2h/2 rather than nothing, which is the zero-point energy of §2.2 drawn as a picture: the state cannot be a point in phase space, and the smallest region it can occupy is half a unit of hh.

6.3 · What is this chapter's, and what is Chapter 4.10's

A boundary needs drawing here, so that you know exactly what has been established and what has not. Chapter 1.3's Bohr–Sommerfeld condition is a general statement about any bound one-dimensional motion, and it was a guess when it was made, supported by the argument that an adiabatic invariant is the right thing to quantise. This chapter has derived one case of it, exactly, and has said nothing about any other case.

The general statement is Chapter 4.10 §6, where it comes out of a genuine approximation scheme rather than a guess, and where it is scored: for potentials that are not quadratic the condition is approximate, the error is largest at the bottom of the ladder, and that chapter prints the numbers. So the oscillator is the case where the semiclassical answer is exact, and the reason it is exact is that the answer came from an algebra with no small parameter in it. Chapter 4.10 also supplies a count that Chapter 4.1 needed and could not get. That chapter's classical partition function had to divide phase space into cells before it could count states, and classical mechanics offered no size for a cell, so the sum was defined only up to a constant. The count that closes it is that an orbit enclosing area A\mathcal A holds about A/h\mathcal A/h states, which is (4.8.31) read as a density rather than as a level, and 4.10 is where it is proved.

6.4 · The numerical confirmation

Everything above came out of one commutation relation, so the whole of it can be held against a computation that has never heard of that relation. The check used here is a direct diagonalisation of (4.8.1) in position space, with no ladder operator, no Hermite polynomial and no generating function anywhere in it.

The construction is short to describe, and the one choice in it needs a reason. Work in units =m=ω=1\hbar=m=\omega=1 and put down a uniform grid of 6060 points at spacing 0.30.3, spanning x9\abs x\le9. What has to be represented on that grid is the kinetic energy 12d2dx2-\half\,\dvn{2}{}{x}. An ordinary finite difference would represent it only to some power of the spacing, and the comparison below would then be measuring the difference scheme rather than the spectrum. So use instead the matrix that is exact on every function whose Fourier content fits between the grid's own limits. Its entries are π2/3\pi^{2}/3 on the diagonal and 2(1)jk/(jk)22(-1)^{j-k}/(j-k)^{2} off it, all divided by twice the squared spacing. The 12-\half is already inside them, so what those entries define is the kinetic-energy operator and not the second derivative, which is why the next step adds the potential rather than subtracting it. Add 12x2\half x^{2} down the diagonal and diagonalise the resulting 60×6060\times60 symmetric matrix. The whole computation is a discretisation of the differential operator and a rotation to its eigenbasis.

The lowest sixteen eigenvalues come out as 0.5,1.5,2.5,,15.50.5,1.5,2.5,\dots,15.5, with the largest departure from (n+12)(n+\half) anywhere in that range equal to 1.2×10131.2\times10^{-13} and the largest departure of any gap from 11 equal to 6.2×10146.2\times10^{-14}. Both are at the level of double-precision rounding for a matrix of this size, so the levels are equally spaced as far as the arithmetic can see. Taking the same eigenvectors and computing jcj2xj2\sum_{j}c_{j}^{2}x_{j}^{2}, which is x^2\avg{\hat x^{2}} read straight off the grid, reproduces (4.8.28) to a worst relative departure of 1.5×10141.5\times10^{-14} over the same sixteen states, and the corresponding ΔxΔp\Delta x\,\Delta p reproduces (4.8.29) to twelve figures at every one of them.

Two remarks about what that does and does not test. The accuracy is not an accident of a fine grid: it comes from the eigenfunctions decaying faster than any exponential, so a grid that comfortably contains them and comfortably resolves them commits an error that falls off faster than any power of the spacing. The grid has to do both, and it fails at each end for its own reason. Shrinking the span to x7.5\abs x\le7.5 at the same 6060 points degrades the sixteenth level to 4×1074\times10^{-7}, because the highest states no longer fit inside it. Stretching it to x14\abs x\le14 degrades the same level to 1×1031\times10^{-3}, because the spacing is then too coarse to follow their oscillations. Between those two the window is wide, and inside it the answer is right to the level of double-precision rounding quoted above. The test is also genuinely independent, since a grid Laplacian shares no step with §§2 to 4. What it does not test is completeness, which is Chapter 4.5's and cannot be settled by any finite matrix.

6.5 · The ladder, operable

The figure below is the ladder with a button on it. Press a^\hat a^{\dagger} and the state climbs a rung, press a^\hat a and it falls, and at the bottom pressing a^\hat a returns nothing at all, which is (4.8.19) at n=0n=0 and is the whole reason the spectrum has a floor. The levels, the wavefunctions and the expectation values are all taken from §6.4's diagonalisation rather than from any formula in this chapter, so the readouts are testing the algebra rather than displaying it.

n = 0 E_n = 0.5000000000000 hbar omega E_n - (n + 1/2) = 8.33e-15 largest |gap - hbar omega| over all 16 levels = 6.22e-14 -- diagonalised on a grid, with no ladder operator in it
<x^2> from the eigenvector = 0.500000000000 x0^2 (n + 1/2) = 0.5 relative difference = 8.88e-15 Dx Dp = 0.500000000000 hbar enclosed area = 0.500000000000 h
the ground state, which is the state a annihilates
The ladder, with the numbers underneath it. Units, first, because everything below is quoted in them. Lengths are in units of x0x_{0}, momenta in units of p0p_{0} and energies in units of ω\hbar\omega, so the axes carry §2.1's dimensionless X^=x^/x0\hat X=\hat x/x_{0} and P^=p^/p0\hat P=\hat p/p_{0}, the pair that has been out of sight since §2.4. Written that way the oscillator has no free parameter at all, which is why no mass and no frequency appear anywhere, and the only thing there is to change is which rung you are standing on. Top: the parabola V=12mω2x2V=\half m\omega^{2}x^{2} in grey, the sixteen lowest levels drawn as faint rules running between their classical turning points, and the current state's wavefunction in the accent colour for an even rung and the second colour for an odd one, drawn on its own level with its turning points ringed. The wavefunction is scaled by its own largest value so that every rung is equally visible, and the vertical scale of the state carries no information. Bottom: the same state in phase space. Each level is the classical orbit of (4.8.30) at that energy, which is an ellipse in xx and pp and becomes a circle once both axes are divided by their own unit, with the current one heavy and the shaded disc at the centre the ground state's. That disc has drawn area π\pi, and since one unit of drawn area is x0p0=x_{0}p_{0}=\hbar, its true area is π=h/2\pi\hbar=h/2. The amber dot is the root-mean-square point (X^2,P^2)(\sqrt{\avg{\hat X^{2}}},\sqrt{\avg{\hat P^{2}}}), which sits on the circle at every rung. The readouts are the test. The first prints the current rung, the energy taken from §6.4's diagonalisation, its departure from (n+12)ω(n+\half)\hbar\omega, and the largest departure of any gap from ω\hbar\omega across all sixteen levels, which stays near 101310^{-13}. The second prints x^2\avg{\hat x^{2}} computed from the numerical eigenvector beside (4.8.28)'s (n+12)/mω(n+\half)\hbar/m\omega, together with ΔxΔp\Delta x\,\Delta p and the enclosed phase-space area in units of hh. The third says what the last button press did, including the case where it did nothing.
In plain terms 4.8.4

Chapter 0.8 drew the classical oscillator as a point going round and round an ellipse, with position on one axis and momentum on the other, and worked out the area the ellipse encloses. It came to the energy divided by the frequency, times two pi. That chapter then said, in writing, that a later one would ration those ellipses, and this is the later one.

Feed the energies just derived into that area and the answer is Planck's constant multiplied by a half-integer. So the allowed orbits are not a continuum. They are a set of nested rings, each enclosing exactly one more unit of Planck's constant than the one inside it, and the innermost enclosing half a unit rather than none. That last half unit is the same zero-point energy that appeared when the factorisation failed, now wearing its geometric costume: the state cannot shrink to a point, and the smallest patch of phase space it can occupy has a definite size.

Chapter 1.3 guessed this rule and said so honestly at the time. What has changed is that the rule is now a consequence rather than a guess, in this one case, and the derivation used nothing about orbits. The general version, and an honest account of how badly it does on potentials that are not parabolas, is Chapter 4.10's business.

a natural place to stop  ·  the energy eigenstates are finished; what follows builds a state that is not one of them, and it is the state that behaves classically

7 · Coherent states

Here is where this section is going. Six sections have produced energy eigenstates, and §6.1 noted a strange fact about all of them: in every one, the mean position and the mean momentum are zero, and they stay zero forever, because a stationary state's expectation values do not move. Nothing built so far swings. This section builds the state that does, finds that its width never changes while it swings, and observes that it is not an energy eigenstate at all.

7.1 · What to ask for

The wanted state should behave as much like a classical oscillator as quantum mechanics permits, and the natural way to look for it is to ask what the classical variables become. Put Chapter 0.8's solution x=Acos(ωt+φ)x=A\cos(\omega t+\varphi) into the combination x+ip/mωx+\ii p/m\omega, using p=mx˙p=m\dot x, and the two terms assemble into Aei(ωt+φ)A\ee^{-\ii(\omega t+\varphi)}. Its modulus is the amplitude and its argument turns at the oscillator's own rate, which is that chapter's §4.2 complex amplitude set rotating and its §4.4 circle written as one number. That combination is precisely what (4.8.7) was built out of, so ask for a state on which a^\hat a acts as a number:

a^α  =  αα,αC. \hat a\ket\alpha \;=\; \alpha\ket\alpha, \qquad \alpha\in\C. (4.8.32)

The warning in §2.4 is what makes that request legitimate. Because a^\hat a is not self-adjoint, nothing requires α\alpha to be real, and none of Chapter 4.2's theorems about the eigenvalues of an observable applies. There is no measurement whose outcome is α\alpha. What there is, if such states exist, is a family labelled by a complex number, and the label should turn out to be the classical amplitude.

7.2 · Building it

To find the states, expand in the basis we have. Chapter 4.5 §5.4's completeness is what permits the expansion, and §5.5 above collected it, so write α=n0cnn\ket\alpha=\sum_{n\ge0}c_{n}\ket n and apply (4.8.19) term by term. Lowering shifts every index down one, so

a^α  =  n1cnnn1  =  αn0cnn. \hat a\ket\alpha \;=\; \sum_{n\ge1}c_{n}\sqrt n\,\ket{n-1} \;=\; \alpha\sum_{n\ge0}c_{n}\ket n. (4.8.33)

Now compare the coefficient of n\ket n on the two sides, which is legitimate because the n\ket n are orthonormal. On the left the term with n\ket n comes from n+1n+1, so cn+1n+1=αcnc_{n+1}\sqrt{n+1}=\alpha c_{n}. That recurrence unwinds immediately, giving cn=αnc0/n!c_{n}=\alpha^{n}c_{0}/\sqrt{n!}, and the constant c0c_{0} is fixed by demanding cn2=1\sum\abs{c_{n}}^{2}=1, where the sum is the exponential series. So the state exists, for every complex α\alpha, and it is

α  =  eα2/2n0αnn!n. \ket\alpha \;=\; \ee^{-\abs\alpha^{2}/2}\sum_{n\ge0}\frac{\alpha^{n}}{\sqrt{n!}}\,\ket n. (4.8.34)

Those coefficients also settle the domain question of §2.4 for this state, which is not a finite combination and so is not covered by what that box said. Since cn2=eα2α2n/n!\abs{c_{n}}^{2}=\ee^{-\abs\alpha^{2}}\abs\alpha^{2n}/n! falls off faster than any power of nn, the sum nnkcn2\sum_{n}n^{k}\abs{c_{n}}^{2} converges for every kk, so α\ket\alpha lies in the domain of every polynomial in a^\hat a and a^\hat a^{\dagger}. That is what licenses moving a^\hat a across the inner product in §7.3 and §7.5, and again in Problem 3(a).

7.3 · Its position, its momentum, and its width

What we want to know first is where this state is and how wide it is, and both come from (4.8.9) with (4.8.32) used on the right and its adjoint on the left. Since a^α=αα\hat a\ket\alpha=\alpha\ket\alpha and αa^=αˉα\bra\alpha\hat a^{\dagger}=\bar\alpha\bra\alpha, every expectation value reduces to arithmetic in α\alpha:

x^  =  2x0Reα,p^  =  2p0Imα. \avg{\hat x} \;=\; \sqrt2\,x_{0}\,\mathrm{Re}\,\alpha, \qquad\qquad \avg{\hat p} \;=\; \sqrt2\,p_{0}\,\mathrm{Im}\,\alpha. (4.8.35)

So the label is the position and momentum of the state, in the natural units, and the state can be put anywhere. For the widths, use the same trick on x^2\hat x^{2}, being careful with the one term that is not already in normal order: write a^a^\hat a\hat a^{\dagger} as a^a^+1\hat a^{\dagger}\hat a+1 before evaluating, which is (4.8.10) earning its keep for the last time. The cross terms combine into x^2\avg{\hat x}^{2} exactly, and the +1+1 survives on its own:

Δx  =  x02  =  2mω,Δp  =  p02,ΔxΔp  =  2. \Delta x \;=\; \frac{x_{0}}{\sqrt2} \;=\; \sqrt{\frac{\hbar}{2m\omega}}, \qquad \Delta p \;=\; \frac{p_{0}}{\sqrt2}, \qquad \Delta x\,\Delta p \;=\; \frac{\hbar}{2}. (4.8.36)

What is missing from those expressions is the point: the widths do not depend on α\alpha. Every state of this family, however far from the origin it is placed and however fast it is moving, has exactly the width of the ground state, and saturates Chapter 0.9 §6's bound. That is consistent with §6.1, where the ground state saturated it too, and indeed α=0\alpha=0 in (4.8.34) gives 0\ket0 back. The coherent states are the ground state, moved.

7.4 · The state that does not spread

Now let it evolve, which is where the point of the whole section is. Chapter 4.6 §9 established that a stationary state acquires the phase eiEnt/\ee^{-\ii E_{n}t/\hbar} and nothing else, so each term of (4.8.34) picks up ei(n+12)ωt\ee^{-\ii(n+\half)\omega t}. Pull the half out front, where it is a global phase and affects nothing measurable, and what is left multiplies αn\alpha^{n} by einωt\ee^{-\ii n\omega t}, which is the same as replacing α\alpha by αeiωt\alpha\ee^{-\ii\omega t} throughout:

α,t  =  eiωt/2αeiωt. \ket{\alpha,t} \;=\; \ee^{-\ii\omega t/2}\,\big|\,\alpha\,\ee^{-\ii\omega t}\big\rangle. (4.8.37)

A coherent state evolves into a coherent state, with its label rotating at the classical frequency. Everything follows from that one line. Since α\abs\alpha never changes, the widths in (4.8.36) never change either, and the packet does not spread. And feeding the rotating label into (4.8.35), with α=αeiθ\alpha=\abs\alpha\ee^{\ii\theta},

x^(t)  =  2x0αcos ⁣(ωtθ), \avg{\hat x}(t) \;=\; \sqrt2\,x_{0}\abs\alpha\,\cos\!\big(\omega t-\theta\big), (4.8.38)

which is Chapter 0.8's classical solution exactly, amplitude and phase and all. The state is a rigid Gaussian of fixed width sliding back and forth along the classical trajectory.

This settles a debt from the chapter before last. Chapter 4.6 §10 built a free Gaussian packet and watched it spread, and its closing brick said that this chapter would do the same for the oscillator and find the state whose width does not change. That state is (4.8.34), its width is (4.8.36), and in the units that chapter's figure uses, where =m=ω=1\hbar=m=\omega=1, the number is 1/21/\sqrt2. That figure's oscillator panel was run at exactly that width for exactly this reason.

Equation (4.8.38) is easy to over-read, and two boundaries keep it in place. Chapter 4.9 §5 will show that the mean position of any state follows the classical trajectory exactly whenever the potential is at most quadratic, so the motion of the centre is not special to coherent states. What is special is the width. And no state of any system is genuinely classical: (4.8.36) is a fixed non-zero spread, and §7.5 says what else is spread.

7.5 · Not an energy eigenstate, and that is the point

After six sections of eigenstates, (4.8.34) is not one of them, and that needs saying plainly. It is a superposition of all of them, with weights that never vanish, and its energy is not definite. The mean rung follows from N^=αa^a^α=α2\avg{\hat N}=\avg{\alpha|\hat a^{\dagger}\hat a|\alpha}=\abs\alpha^{2}, and the spread from the same normal-ordering step used in §7.3:

N^  =  α2,ΔN  =  α,ΔNN^  =  1α. \avg{\hat N} \;=\; \abs\alpha^{2}, \qquad \Delta N \;=\; \abs\alpha, \qquad \frac{\Delta N}{\avg{\hat N}} \;=\; \frac{1}{\abs\alpha}. (4.8.39)

The probability of finding rung nn is cn2=eα2α2n/n!\abs{c_{n}}^{2}=\ee^{-\abs\alpha^{2}}\abs\alpha^{2n}/n!, which is a Poisson distribution with mean α2\abs\alpha^{2}, and (4.8.39) is its standard deviation written out. That is the reason a coherent state looks classical when it is large. The fractional uncertainty in the energy falls like 1/α1/\abs\alpha, so a state carrying a million quanta has its energy defined to a part in a thousand, and a state carrying one does not have a defined energy in any useful sense.

7.6 · Where this goes

Chapter 0.8 §7 closed with a sentence this chapter can now honour. A field in a box is a collection of independent modes, each one a harmonic oscillator with its own frequency, so quantising a field means doing the calculation of §§2 to 4 once and attaching a copy of it to every mode. The integer labelling a rung then counts how many quanta of ω\hbar\omega that mode holds, and those quanta are what we call particles. A photon is one rung of one mode of the electromagnetic field, and Chapter 5.3 is where that sentence becomes a construction. Chapter 7.4 runs the same machine on the vibrational modes of a string, where the rungs are the particle spectrum. Chapter 0.3's closing list named all three destinations in order, and this chapter is the first of them.

Coherent states are the piece that travels furthest in one respect. A field mode in a coherent state has a definite amplitude and phase and an indefinite number of quanta, which is what a classical electromagnetic wave is, and it is why the classical limit of a quantum field is a coherent state rather than a state of many photons with definite number. The half rung per mode travels too, and less comfortably: every mode of every field carries 12ω\half\hbar\omega whether anything is in it or not, and adding that up over infinitely many modes gives infinity. Chapter 5.3 has to say what to do about it before it can say anything else.

Familiar ground — you already expand about a maximum, and two ingredients are missing from it

This box picks up the second paragraph of "Where we are" rather than anything in §§1 to 7. That paragraph is where the chapter said why one potential deserves an exact treatment, and the reason it gave was Chapter 0.8 §4's. Expand a smooth potential about a stable minimum: the constant is irrelevant, the linear term vanishes because the point was a minimum, and what survives is quadratic. That expansion, and not the algebra of this chapter, is the move you make every time you fit a model. A log-likelihood (θ)\ell(\theta) is maximised at θ^\hat\theta, the first derivative vanishes there because it is a maximum, and expanding to second order leaves (θ)(θ^)12I(θ^)(θθ^)2\ell(\theta)\approx\ell(\hat\theta)-\half I(\hat\theta)(\theta-\hat\theta)^{2} with I=I=-\ell'' the observed information. Everything you then do with a Wald interval treats that parabola as the whole of the likelihood near the estimate, and the width that comes out, 1/I1/\sqrt I, is built from the curvature and from nothing else. Chapter 0.8's expansion is the identical algebra with the sign flipped, and mω2m\omega^{2} plays the part of II.

The box sits here rather than beside that paragraph because both of the places the analogy breaks need equipment assembled later: the ground state's actual width, which is §6.1's, and the discrete ladder, which is §4's. It waits until the end of the main line so that both are in hand. Where the analogy stops is more interesting than where it holds, and there are two places.

The width needs a second constant. In the likelihood case the curvature alone fixes the standard error, because the units of θ\theta are already the units of the answer. Here it does not: mω2m\omega^{2} has the dimensions of a stiffness and no length can be made from it. The length x0=/mωx_{0}=\sqrt{\hbar/m\omega} of (4.8.2) needs \hbar as well, and the ground state's width x0/2x_{0}/\sqrt2 is that length. Quantum mechanics is the extra constant, and every quantitative statement in this chapter is a statement about it. Set \hbar to zero and the state shrinks to a point sitting at the bottom of the well, which is the classical answer.

There is no ladder in the statistical case, and there cannot be. A likelihood surface has a continuum of parameter values near its maximum and no notion of an allowed set. What produces the discrete rungs here is not the parabola but the commutator, which has no counterpart in a log-likelihood at all, and which is what §3 turned into an integer. So the shared structure is the expansion and only the expansion. Read further than that and you would be predicting a discrete set of permitted hazard ratios, which is exactly the kind of nearly-right analogy that costs more than it buys.

In plain terms 4.8.5

Every state built so far has a definite energy, and every one of them has a curious property: on average the particle is at the centre and not moving, and it stays that way forever. Nothing so far in the chapter oscillates, which is odd for a chapter about an oscillator.

The state that does oscillate is found by asking for something different. Instead of a state on which the energy takes a definite value, ask for one on which the lowering operation acts as multiplication by a number. That is a legitimate thing to ask for, because the lowering operation is not an observable, so nothing forces the number to be real, and such a state does exist for every complex number you name. Expanding it over the rungs gives coefficients that make its probabilities a Poisson distribution, of the kind that describes counts of independent rare events.

What this state does is the point. Its centre moves exactly along the classical path, with the right amplitude and the right phase, and its width never changes at all, which is the opposite of what a free packet does. It is a bell curve of fixed shape sliding back and forth in the well. The price is that it has no definite energy: its rung is uncertain by the square root of its mean rung, so a large one is sharply defined in relative terms and a small one is not. That is the sense in which a classical oscillation is a quantum state with a great many quanta in it and no idea how many.

8 · Worked examples

⚑ Measured, not derived — the spectroscopic data used in Worked example 1

Everything in this chapter up to here is a consequence of (4.8.10) and the axioms of an inner product. Worked example 1 tests it against a molecule, and to do that it needs numbers that no calculation in this book produces. They are quoted, which is what this mark means.

The vibrational constants of hydrogen chloride. Infrared spectroscopy of the two isotopologues gives harmonic vibrational wavenumbers of 2990.95 cm12990.95\ \mathrm{cm^{-1}} for 1H35Cl^{1}\mathrm{H}^{35}\mathrm{Cl} and 2145.16 cm12145.16\ \mathrm{cm^{-1}} for 2H35Cl^{2}\mathrm{H}^{35}\mathrm{Cl}. The observed fundamental band of the first, meaning the transition from the lowest rung to the next, is at 2885.98 cm12885.98\ \mathrm{cm^{-1}}, and its first overtone, from the lowest rung to the one above next, is at 5667.98 cm15667.98\ \mathrm{cm^{-1}}. These are measurements.

Two more quoted numbers, used once each. The equilibrium bond length of 1H35Cl^{1}\mathrm{H}^{35}\mathrm{Cl} is 127.46 pm127.46\ \mathrm{pm}, which part (b) uses only to say what fraction of the bond the ground state's motion amounts to. And the three atomic masses, 1.007825 u1.007825\ \mathrm u for 1H^{1}\mathrm{H}, 2.014102 u2.014102\ \mathrm u for 2H^{2}\mathrm{H} and 34.968853 u34.968853\ \mathrm u for 35Cl^{35}\mathrm{Cl}, are measured quantities like any other.

What is done with them. The example computes a force constant from each isotopologue separately and asks whether the two agree. It also predicts the second molecule's frequency from the first's, using the masses together with one premise about the electronic problem, which part (c) states where it uses it. Neither of those uses the measurements to fix a parameter of the theory, because the theory of this chapter has no free parameter to fix. No result in §§1 to 7 depends on any of this, and removing this box would change nothing above it.

Two premises, imported and not derived. Part (c) also leans on two statements that no chapter of this book proves, and both are premises the example brings in from outside rather than results it inherits. The first is that two isotopologues of the same molecule share a force constant, which is a claim about the electronic energy curve. Part (c) treats that one as a hypothesis under test rather than as a fact, and reads the residual as its failure rather than the oscillator's. The second is that a reaction rate carries an Arrhenius factor eΔ/RT\ee^{-\Delta/RT}, which is a claim about chemistry, and that one is assumed rather than tested: the kinetic-isotope factor of 7.77.7 rests on it entirely. Both are named again where part (c) uses them. Nothing in §§1 to 7, and nothing in the other worked examples or problems, depends on either.

Worked example 1 — a molecule on the ladder, and a prediction with no free parameter

Hydrogen chloride is two atoms joined by a bond, and near its equilibrium separation the bond behaves like a spring. (a) Treat the vibration as a one-dimensional oscillator and say what plays the part of the mass. (b) From 1H35Cl^{1}\mathrm{H}^{35}\mathrm{Cl}'s wavenumber find the force constant, the zero-point energy and the amplitude of the ground state. (c) Predict 2H35Cl^{2}\mathrm{H}^{35}\mathrm{Cl}'s wavenumber from 1H35Cl^{1}\mathrm{H}^{35}\mathrm{Cl}'s alone, and test it. (d) Say where the harmonic ladder is visibly wrong.

(a) Two masses joined by a spring is not literally the problem of this chapter, since there are two coordinates rather than one. Chapter 1.1's Problem 2 changed variables to the centre of mass and the separation, and found that the kinetic energy splits into one term for each with no cross term at all, the second carrying the reduced mass μ=m1m2/(m1+m2)\mu=m_{1}m_{2}/(m_{1}+m_{2}). That change of variables is linear, so it does the same thing to the momentum operators, and the internal motion is (4.8.1) with mm replaced by μ\mu. For 1H35Cl^{1}\mathrm{H}^{35}\mathrm{Cl} the atomic masses 1.007825 u1.007825\ \mathrm u and 34.968853 u34.968853\ \mathrm u give μ=0.979593 u\mu=0.979593\ \mathrm u, which is 1.626652×1027 kg1.626652\times10^{-27}\ \mathrm{kg}. The reduced mass is almost the hydrogen mass, which is why hydrogen stretches sit at the high-frequency end of an infrared spectrum.

(b) Spectroscopy quotes a wavenumber ν~\tilde\nu, so first convert: ω=2πcν~\omega=2\pi c\tilde\nu, which for 2990.95 cm12990.95\ \mathrm{cm^{-1}} gives 5.633908×1014 s15.633908\times10^{14}\ \mathrm{s^{-1}}. Then the force constant is k=μω2k=\mu\omega^{2}, which comes to 516.31 Nm1516.31\ \mathrm{N\,m^{-1}}. That is a stiff spring by everyday standards and a completely ordinary one for a chemical bond.

The zero-point energy is 12ω\half\hbar\omega, by (4.8.18) at n=0n=0, and it is 0.185415 eV0.185415\ \mathrm{eV}, or 17.890 kJmol117.890\ \mathrm{kJ\,mol^{-1}}, or half the quoted wavenumber, 1495.5 cm11495.5\ \mathrm{cm^{-1}}. Compare that with kBTk_{B}T at room temperature, which is 0.02569 eV0.02569\ \mathrm{eV}. The molecule's vibration carries seven times the thermal energy scale in a state from which no energy can be removed, and the fraction of molecules in the first excited rung at 300 K300\ \mathrm K is eω/kBT=5.9×107\ee^{-\hbar\omega/k_{B}T}=5.9\times10^{-7}. Essentially every hydrogen chloride molecule in a room is on the bottom rung, and is nonetheless vibrating.

The amplitude follows from (4.8.28). The oscillator length is x0=/μω=10.727 pmx_{0}=\sqrt{\hbar/\mu\omega}=10.727\ \mathrm{pm}, so the root-mean-square displacement of the ground state is x0/2=7.585 pmx_{0}/\sqrt2=7.585\ \mathrm{pm}, against a bond length of 127.46 pm127.46\ \mathrm{pm}. The bond breathes by about six percent of its length while in its lowest state, which is small enough for the quadratic expansion to be reasonable and large enough that part (d) can detect its failure.

(c) This test uses no fitted quantity at all. The force constant is a property of the electronic energy curve, which depends on the charges and not on the nuclear masses, so the two isotopologues should share it. That is a premise imported from the electronic problem, and neither this chapter nor any other in this book derives it. The flag box above says so, and the test below is as much a test of that premise as of the ladder. What this chapter supplies is the consequence: if kk is shared then ω=k/μ\omega=\sqrt{k/\mu}, and the ratio of the two frequencies is fixed by the masses alone,

ωDωH  =  μHμD. \frac{\omega_{\mathrm D}}{\omega_{\mathrm H}} \;=\; \sqrt{\frac{\mu_{\mathrm H}}{\mu_{\mathrm D}}}.

With μD=1.904413 u\mu_{\mathrm D}=1.904413\ \mathrm u from the deuterium mass 2.014102 u2.014102\ \mathrm u, the predicted ratio is 0.7172030.717203. The measured ratio is 2145.16/2990.95=0.7172172145.16/2990.95=0.717217. Predicting 2H35Cl^{2}\mathrm{H}^{35}\mathrm{Cl}'s wavenumber from 1H35Cl^{1}\mathrm{H}^{35}\mathrm{Cl}'s alone gives 2145.12 cm12145.12\ \mathrm{cm^{-1}} against 2145.16 cm12145.16\ \mathrm{cm^{-1}} measured, so the wavenumbers depart by two parts in a hundred thousand. Read the other way, the force constants extracted separately from the two molecules are 516.314516.314 and 516.334 Nm1516.334\ \mathrm{N\,m^{-1}}, and those agree to four parts in a hundred thousand. The two residuals are the same discrepancy counted twice, since kk goes as ν~2\tilde\nu^{2} and the force constants therefore disagree by twice as much as the wavenumbers.

What that residual is, is the failure of the shared-force-constant hypothesis rather than of the oscillator, since nothing in (4.8.18) knows about isotopes. The zero-point energies differ by 5.06 kJmol15.06\ \mathrm{kJ\,mol^{-1}} between the two molecules, and that difference is a real and measurable thing. Suppose a reaction rate goes as eΔ/RT\ee^{-\Delta/RT} in the energy needed to reach the top of a barrier. That is the second imported premise, a statement about chemistry that this book derives nowhere, and unlike the shared force constant it is assumed rather than tested. Granted it, the heavier isotope starts 5.06 kJmol15.06\ \mathrm{kJ\,mol^{-1}} lower and has that much further to climb, which at room temperature is a factor of 7.77.7 in the rate. That factor is the primary kinetic isotope effect. Its size comes out of (4.8.18) and the two masses once the Arrhenius form is granted, and it does not survive without it.

(d) The ladder of (4.8.18) is exactly evenly spaced, so the transition from rung 00 to rung 22 must cost exactly twice the transition from 00 to 11. Measured, the ratio is 5667.98/2885.98=1.963975667.98/2885.98=1.96397, low by 1.80 %1.80\ \%. The fundamental itself sits 3.51 %3.51\ \% below the harmonic wavenumber quoted in the flag box, for the same reason. A real bond is not a parabola: it softens as it stretches and it dissociates, so the true levels crowd together going up rather than staying evenly spaced. Two percent is the size of that effect at the second rung of a stiff bond, and it is what Chapter 4.15 computes by treating the departure from a parabola as a perturbation. Problem 4 below sets up the first step of that calculation with this chapter's algebra.

Worked example 2 — every matrix element of x^\hat x, without an integral

(a) Compute mx^n\avg{m|\hat x|n} for all mm and nn. (b) Do the same for x^2\hat x^{2}. (c) Say what the answers mean for which transitions a light wave can drive. (d) Check both against direct integration of the Hermite functions.

(a) The point of the exercise is that no integral is needed. Chapter 4.5 would have you compute hmξhndξ\int h_{m}\,\xi\,h_{n}\,\dd\xi; the ladder computes it by asking which rung the operator moves you to. Put (4.8.9) between the two states and act with (4.8.19) on the right:

mx^n  =  x02(nδm,n1+n+1δm,n+1). \avg{m|\hat x|n} \;=\; \frac{x_{0}}{\sqrt2}\Big(\sqrt{n}\,\delta_{m,n-1}+\sqrt{n+1}\,\delta_{m,n+1}\Big).

So x^\hat x connects a rung only to its two neighbours, and to nothing else, ever. The whole infinite matrix has two diagonals and is zero everywhere else, and the entries grow like n\sqrt n.

(b) Square the same expression, keeping the operators in order. Four products appear. a^2\hat a^{2} takes n\ket n to n2\ket{n-2} with coefficient n(n1)\sqrt{n(n-1)}, its adjoint goes the other way with (n+1)(n+2)\sqrt{(n+1)(n+2)}, and the two mixed terms both stay put and add to 2n+12n+1:

mx^2n  =  x022(n(n1)δm,n2  +  (2n+1)δm,n+  (n+1)(n+2)δm,n+2). \begin{aligned} \avg{m|\hat x^{2}|n} \;=\; \frac{x_{0}^{2}}{2}\Big(&\sqrt{n(n-1)}\,\delta_{m,n-2} \;+\; (2n+1)\,\delta_{m,n} \\ &+\;\sqrt{(n+1)(n+2)}\,\delta_{m,n+2}\Big). \end{aligned}

Three diagonals, and the middle one is (4.8.28) recovered. The pattern behind it is that x^\hat x changes nn by one, x^2\hat x^{2} by nought or two, and x^k\hat x^{k} by an amount of the same parity as kk. That is (4.8.27) restated, since an integral of an odd function over a symmetric interval vanishes, and it is why parity kills matrix elements without their being computed.

(c) A light wave couples to a charge through a term proportional to x^\hat x, which Chapter 4.17 derives. Part (a) then says the coupling vanishes unless the rung changes by exactly one, which is the selection rule Δn=±1\Delta n=\pm1. So an oscillator absorbs and emits at one frequency, ω\omega, no matter which rung it starts on, and that is why a harmonic vibrational spectrum is a single line rather than a series. Worked example 1(d) is the measurement of how badly that fails, and it fails by two percent, which is the size of the departure from a parabola.

(d) Numerical integration of hmξhndξ\int h_{m}\xi h_{n}\dd\xi on the line, using the Hermite functions of Chapter 4.5 §5.1 directly, returns 0.70710678120.7071067812, 1.00000000001.0000000000 and 1.22474487141.2247448714 for (m,n)=(0,1)(m,n)=(0,1), (1,2)(1,2) and (2,3)(2,3), against part (a)'s n/2\sqrt{n/2} at n=1n=1, 22 and 33, with the entries at (0,3)(0,3) and (2,2)(2,2) vanishing to eleven decimal places. For x^2\hat x^{2} the diagonal entries return 0.50.5, 1.51.5 and 3.53.5 at n=0,1,3n=0,1,3, and the two-step entries 0.70710678120.7071067812 at (0,2)(0,2) and 1.22474487141.2247448714 at (1,3)(1,3), all matching the formulae to ten figures. The integrals were never needed and they agree.

Worked example 3 — an oscillator in a uniform field, solved by moving the ladder

A charge qq in an oscillator sits in a uniform field E\mathcal E, adding qEx-q\mathcal Ex to the potential. (a) Solve it exactly with the algebra. (b) Identify the new ground state. (c) Put numbers on it for a trapped ion. (d) Say what Chapter 4.15 will do with the answer.

(a) The new Hamiltonian is H^=H^qEx^\hat H'=\hat H-q\mathcal E\hat x, and the fastest route is to notice that the added term is linear in x^\hat x, hence linear in a^\hat a and a^\hat a^{\dagger} by (4.8.9). A term linear in a^\hat a and a^\hat a^{\dagger} sitting beside a^a^\hat a^{\dagger}\hat a can be absorbed by shifting both, which is completing a square with operators in place of numbers. Define b^=a^λ\hat b=\hat a-\lambda with λ\lambda a real constant. Subtracting a number changes no commutator, so [b^,b^]=[a^,a^]=1[\hat b,\hat b^{\dagger}]=[\hat a,\hat a^{\dagger}]=1, and every consequence of §§3 to 5 holds for b^\hat b with no work at all. Expanding ωb^b^\hbar\omega\hat b^{\dagger}\hat b and comparing with H^\hat H' fixes λ=qEx0/(2ω)\lambda=q\mathcal E x_{0}/(\sqrt2\,\hbar\omega), and what is left over is a constant:

H^  =  ω(b^b^+12)    q2E22mω2,En  =  (n+12)ωq2E22mω2. \hat H' \;=\; \hbar\omega\left(\hat b^{\dagger}\hat b+\half\right) \;-\; \frac{q^{2}\mathcal E^{2}}{2m\omega^{2}}, \qquad E'_{n} \;=\; \left(n+\half\right)\hbar\omega-\frac{q^{2}\mathcal E^{2}}{2m\omega^{2}}.

The spectrum is the old one pushed down bodily. The spacing does not change, so the spectroscopy does not change either, and the shift is quadratic in the field rather than linear even though the added term was linear. In position space the same statement is the completion of the square 12mω2x2qEx=12mω2(xxs)2q2E2/2mω2\half m\omega^{2}x^{2}-q\mathcal Ex=\half m\omega^{2}(x-x_{s})^{2}-q^{2}\mathcal E^{2}/2m\omega^{2} with xs=qE/mω2x_{s}=q\mathcal E/m\omega^{2}, verified symbolically, which is the classical displacement of the equilibrium point.

(b) The new ground state is the state killed by b^\hat b, which means a^ψ=λψ\hat a\ket\psi=\lambda\ket\psi. By (4.8.32) that is a coherent state of the original ladder, with label λ\lambda. So §7's states are not an ornament: they are the ground states of displaced oscillators, and a field applied to an oscillator in its ground state leaves it in a coherent state of the original one. Writing the shift in terms of the label, q2E2/2mω2=λ2ωq^{2}\mathcal E^{2}/2m\omega^{2}=\abs\lambda^{2}\hbar\omega, so the depression of the ladder is one quantum for every unit of λ2\abs\lambda^{2}, which is also the mean rung of the displaced state measured on the old ladder by (4.8.39).

(c) Take a 40Ca+^{40}\mathrm{Ca}^{+} ion in a trap of frequency ω/2π=1 MHz\omega/2\pi=1\ \mathrm{MHz}, a standard laboratory setting. Its oscillator length is x0=15.90 nmx_{0}=15.90\ \mathrm{nm} and its level spacing is ω=4.14 neV\hbar\omega=4.14\ \mathrm{neV}. A stray field of one volt per metre, which is very small, displaces the equilibrium by xs=61.2 nmx_{s}=61.2\ \mathrm{nm}, which is 3.853.85 oscillator lengths, so λ2=7.39\abs\lambda^{2}=7.39 and the ladder drops by 7.397.39 quanta. The same field applied to an electron bound at ω=1 eV\hbar\omega=1\ \mathrm{eV} moves nothing measurable, and it takes 5.1×108 Vm15.1\times10^{8}\ \mathrm{V\,m^{-1}} to shift that ladder by one percent of its spacing. The difference is entirely in mω2m\omega^{2}, which is 2.10 Nm12.10\ \mathrm{N\,m^{-1}} for the electron and 2.62×1012 Nm12.62\times10^{-12}\ \mathrm{N\,m^{-1}} for the ion, twelve orders of magnitude apart. This is why trapped-ion experiments compensate stray fields as their first act of calibration.

(d) Chapter 4.15 develops perturbation theory, in which a small addition to a Hamiltonian is handled by an expansion. Applied to qEx^-q\mathcal E\hat x, its first-order term is qEnx^n-q\mathcal E\avg{n|\hat x|n}, which Worked example 2(a) says is zero, and its second-order term is a sum over the two neighbouring rungs. This example says in advance what that sum has to produce, namely q2E2/2mω2-q^{2}\mathcal E^{2}/2m\omega^{2} at every rung and nothing at any higher order. An exact answer waiting for an approximate method is the most useful thing a chapter can hand forward, and it is why this example is here rather than there.

9 · Your turn

Problem 1 — the oscillator in three dimensions, and half a quantum per direction

(a) An isotropic three-dimensional oscillator has H^=i=13(p^i2/2m+12mω2x^i2)\hat H=\sum_{i=1}^{3}\big(\hat p_{i}^{2}/2m+\half m\omega^{2}\hat x_{i}^{2}\big). Define one ladder per direction and give the spectrum. (b) Show that the level EnE_{n} is degenerate and count the states at each nn. (c) Say what the zero-point energy is and what it is per degree of freedom. (d) Chapter 4.11 will find that a rotationally symmetric problem has levels labelled by an angular momentum \ell with 2+12\ell+1 states each. Check that your count in (b) is consistent with that, and say which \ell occur at each nn.

Solution

(a) The three directions do not talk to each other: [x^i,p^j]=iδij[\hat x_{i},\hat p_{j}]=\ii\hbar \delta_{ij} by Chapter 4.2 §8, so operators built from different directions commute. Define a^i\hat a_{i} by (4.8.7) in each direction. Then [a^i,a^j]=δij[\hat a_{i},\hat a_{j}^{\dagger}]=\delta_{ij} and H^=ω(N^1+N^2+N^3+32)\hat H=\hbar\omega\big(\hat N_{1}+\hat N_{2}+\hat N_{3}+\tfrac32\big). Every argument of §§3 and 4 applies to each N^i\hat N_{i} separately, so each has spectrum 0,1,2,0,1,2,\dots and E=(n1+n2+n3+32)ωE=(n_{1}+n_{2}+n_{3}+\tfrac32)\hbar\omega. Writing nn for the total, En=(n+32)ωE_{n}=(n+\tfrac32)\hbar\omega.

(b) The count is the number of ways to write nn as an ordered sum of three non-negative integers. Fix n1n_{1}, and n2n_{2} then ranges over 00 to nn1n-n_{1}, which is nn1+1n-n_{1}+1 choices with n3n_{3} forced. Summing over n1n_{1} from 00 to nn gives k=0n(k+1)=12(n+1)(n+2)\sum_{k=0}^{n}(k+1)=\half(n+1)(n+2). Checked by direct enumeration: 1,3,6,10,15,21,281,3,6,10,15,21,28 for n=0,,6n=0,\dots,6. Unlike the one-dimensional case, the levels are degenerate, and the degeneracy grows quadratically.

(c) The ground-state energy is 32ω\tfrac32\hbar\omega, which is 12ω\half\hbar\omega for each of the three directions. That is the general rule, and §2.2 is why: each independent quadratic pair contributes one failed factorisation, hence one commutator, hence one half quantum. A system with NN quadratic degrees of freedom has zero-point energy N2ω\tfrac{N}{2}\hbar\omega if they share a frequency, and 12iωi\half\sum_{i}\hbar\omega_{i} if they do not. Chapter 5.3 takes NN to infinity and has to deal with the consequences.

(d) The degeneracies 1,3,6,10,151,3,6,10,15 must decompose into odd numbers 2+12\ell+1. They do: 1=11=1, 3=33=3, 6=5+16=5+1, 10=7+310=7+3, 15=9+5+115=9+5+1. So level nn contains =n,n2,n4,\ell=n,n-2,n-4,\dots down to 11 or 00, and only \ell of the same parity as nn appears, which is (4.8.27) again in three dimensions. Levels with different \ell share an energy, which is a degeneracy rotation alone does not explain. Chapter 4.14 meets the same phenomenon in hydrogen and identifies the larger symmetry responsible.

Problem 2 — the argument of §4, run in both directions

(a) Suppose N^\hat N had an eigenvalue ν=52\nu=\tfrac52. Follow the descent explicitly and say at which step the contradiction with (4.8.16) appears. (b) Where exactly does the same argument fail to bound the ladder from above? Identify the step that has no upward counterpart. (c) Chapter 4.11 §4 runs this machinery on angular momentum and finds a ladder bounded at both ends. What must be true of that problem which is not true here? (d) Suppose someone proposes an operator c^\hat c with [c^,c^]=1[\hat c,\hat c^{\dagger}]=-1, together with a state 0\ket 0 that c^\hat c annihilates. Compute c^02\norm{\hat c^{\dagger}\ket 0}^{2} and say what it rules out. Then drop the second hypothesis and say why the sign on its own settles nothing.

Solution

(a) Descending gives eigenvalues 32\tfrac32, 12\tfrac12, 12-\tfrac12. None of the intermediate states is the zero vector, because (4.8.15) gives a^ν2=νν2\norm{\hat a\ket\nu}^{2}=\nu\norm{\ket\nu}^{2}, which is strictly positive at ν=52\nu=\tfrac52, 32\tfrac32 and 12\tfrac12. So the state at 12-\tfrac12 genuinely exists, and (4.8.16) applied to it says 120-\tfrac12\ge0. The contradiction arrives at the third application, and it would arrive eventually for any ν\nu that is not a non-negative integer.

(b) The bound came from a^ν2=νν20\norm{\hat a\ket\nu}^{2}=\nu\norm{\ket\nu}^{2}\ge0. The upward counterpart is (4.8.17), a^ν2=(ν+1)ν2\norm{\hat a^{\dagger}\ket\nu}^{2}=(\nu+1)\norm{\ket\nu}^{2}, and non-negativity of that gives ν1\nu\ge-1, which is weaker than what is already known and constrains nothing above. The asymmetry is in the commutator: a^a^=N^\hat a^{\dagger}\hat a=\hat N but a^a^=N^+1\hat a\hat a^{\dagger}=\hat N+1, so the downward norm can vanish and the upward one cannot. Physically, the Hamiltonian is bounded below and not above, and the algebra knows it.

(c) There the operator whose eigenvalues are being bounded is J^z\hat J_{z}, and the quantity playing the part of N^\hat N is J^x2+J^y2=J^2J^z2\hat J_{x}^{2}+\hat J_{y}^{2}=\hat{\vv J}^{2}-\hat J_{z}^{2}, which is bounded above and below once J^2\hat{\vv J}^{2} is fixed, because it is a fixed number minus a square. Here N^\hat N has no such ceiling. The general lesson is that the ladder terminates wherever a non-negative quantity would be forced negative, and how many ends it has is decided by how many such quantities there are.

(d) The relation gives c^c^=c^c^1\hat c\hat c^{\dagger}=\hat c^{\dagger}\hat c-1, so with c^0=0\hat c\ket 0=0,

c^02  =  0c^c^0  =  0c^c^01  =  1. \norm{\hat c^{\dagger}\ket 0}^{2} \;=\; \avg{0|\hat c\hat c^{\dagger}|0} \;=\; \avg{0|\hat c^{\dagger}\hat c|0}-1 \;=\; -1.

A vector of squared length 1-1 cannot exist in a space where the inner product is positive definite, which is Chapter 0.5 §1.1's last axiom. So the two hypotheses together are impossible, and one of them has to go.

Now drop the second. Without a state that c^\hat c annihilates, the sign alone rules out nothing, because b^=c^\hat b=\hat c^{\dagger} satisfies [b^,b^]=+1[\hat b,\hat b^{\dagger}]=+1 and the algebra is this chapter's with the two names exchanged. What the sign does is decide which of the pair is the lowering operator, and the trouble in the display above comes from the physics insisting on the other one. That is exactly the situation Chapter 7.4 meets when it quantises the timelike component of a string coordinate: the metric puts a minus sign in the commutator while the definition of the vacuum is fixed independently, so states of negative norm appear, and removing them honestly is a substantial part of that chapter.

Problem 3 — counting statistics in a coherent state

(a) Verify from (4.8.34) that the probability of rung nn is Poisson with mean α2\abs\alpha^{2}, and derive ΔN=α\Delta N=\abs\alpha without summing a series. (b) A laser beam of power PP at wavelength λ\lambda is a coherent state of one field mode. Estimate α2\abs\alpha^{2} for one nanosecond of a one-milliwatt beam at 633 nm633\ \mathrm{nm}, and state the fractional uncertainty in the number of photons. (c) Two coherent states with different labels are not orthogonal. Compute βα2\abs{\avg{\beta|\alpha}}^{2} and say when it is negligible. (d) Why does (c) not contradict Chapter 4.2's theorem that eigenvectors of an observable belonging to distinct eigenvalues are orthogonal?

Solution

(a) Squaring the coefficient in (4.8.34) gives cn2=eα2α2n/n!\abs{c_{n}}^{2}=\ee^{-\abs\alpha^{2}}\abs\alpha^{2n}/n!, which is the Poisson probability with mean α2\abs\alpha^{2}. For the spread without a series, use the operators. N^=αa^a^α=αˉα\avg{\hat N}=\avg{\alpha|\hat a^{\dagger}\hat a|\alpha}=\bar\alpha\alpha. For the second moment, normal-order first: N^2=a^a^a^a^=a^(a^a^+1)a^\hat N^{2}=\hat a^{\dagger}\hat a\hat a^{\dagger}\hat a= \hat a^{\dagger}(\hat a^{\dagger}\hat a+1)\hat a, whose expectation is α4+α2\abs\alpha^{4}+\abs\alpha^{2}. Subtracting the square of the mean leaves α2\abs\alpha^{2}, so ΔN=α\Delta N=\abs\alpha. Variance equal to mean is the Poisson signature, and it arrives here from one application of (4.8.10).

(b) A photon at 633 nm633\ \mathrm{nm} carries hc/λ=3.14×1019 Jhc/\lambda=3.14\times10^{-19}\ \mathrm J, and a milliwatt for a nanosecond delivers 1012 J10^{-12}\ \mathrm J, so α23.2×106\abs\alpha^{2}\approx3.2\times10^{6}. The fractional uncertainty is 1/α5.6×1041/\abs\alpha\approx5.6\times10^{-4}. The beam has a well-defined amplitude and phase and an indefinite photon number, and the indefiniteness is a twentieth of a percent, which is why nothing about a laser looks quantised. It is also measurable, and it is the shot noise floor of any photodetector.

(c) Using (4.8.34) twice and the orthonormality of the n\ket n, βα=e(α2+β2)/2n(βˉα)n/n!=e(α2+β2)/2+βˉα\avg{\beta|\alpha}=\ee^{-(\abs\alpha^{2}+\abs\beta^{2})/2}\sum_{n}(\bar\beta\alpha)^{n}/n! =\ee^{-(\abs\alpha^{2}+\abs\beta^{2})/2+\bar\beta\alpha}, so βα2=eαβ2\abs{\avg{\beta|\alpha}}^{2}=\ee^{-\abs{\alpha-\beta}^{2}}. Two coherent states overlap unless their labels are separated by more than about one, which in position is more than about one oscillator length. They are a family that is complete and not orthogonal, which is unusual and useful.

(d) That theorem is about eigenvectors of a self-adjoint operator, and its proof uses self-adjointness at the one step where the eigenvalue is moved across the inner product. The warning in §2.4 was that a^\hat a is not self-adjoint. The mirror statement is that αa^=αˉα\bra\alpha\hat a=\bar\alpha\bra\alpha is false; the correct relation is αa^=αˉα\bra\alpha\hat a^{\dagger}=\bar\alpha\bra\alpha, and the proof of orthogonality does not run.

Problem 4 — the first anharmonic correction

A real bond is not a parabola, and Worked example 1(d) measured the departure. Model it by adding λx^4\lambda\hat x^{4} to (4.8.1). The letter is being reused: this λ\lambda is the size of the quartic term and has nothing to do with the displacement label λ\lambda of Worked example 3. (a) Compute nx^4n\avg{n|\hat x^{4}|n} with the ladder. (b) Chapter 4.15 will show that the leading shift of level nn is λnx^4n\lambda\avg{n|\hat x^{4}|n}. Using that, say how the spacing between neighbouring levels changes with nn, and compare the sign with what Worked example 1(d) measured. (c) Why does an x^3\hat x^{3} term contribute nothing at this order, and what does that have to do with §5.6? (d) Estimate λ\lambda for hydrogen chloride from Worked example 1(d)'s measurement, and say whether the perturbation is small.

Solution

(a) Write x^2=12x02(a^+a^)2\hat x^{2}=\tfrac12x_{0}^{2}(\hat a+\hat a^{\dagger})^{2} and use Worked example 2(b): the state x^2n\hat x^{2}\ket n has components on rungs n2n-2, nn and n+2n+2 with coefficients 12x02n(n1)\tfrac12x_{0}^{2}\sqrt{n(n-1)}, 12x02(2n+1)\tfrac12x_{0}^{2}(2n+1) and 12x02(n+1)(n+2)\tfrac12x_{0}^{2}\sqrt{(n+1)(n+2)}. Since x^2\hat x^{2} is self-adjoint, nx^4n\avg{n|\hat x^{4}|n} is the squared length of that vector, which is the sum of the three squares:

nx^4n  =  34(2n2+2n+1)x04. \avg{n|\hat x^{4}|n} \;=\; \frac{3}{4}\big(2n^{2}+2n+1\big)\,x_{0}^{4}.

Checked against the values 0.750.75, 3.753.75, 9.759.75, 18.7518.75 and 45.7545.75 in units of x04x_{0}^{4} at n=0,1,2,3,5n=0,1,2,3,5, computed from the matrix directly. No integral of a fourth power against a Gaussian was needed anywhere.

(b) The shift is 34λx04(2n2+2n+1)\tfrac34\lambda x_{0}^{4}(2n^{2}+2n+1), so the gap between nn and n+1n+1 changes by 34λx044(n+1)\tfrac34\lambda x_{0}^{4}\cdot4(n+1), growing linearly in nn. For λ>0\lambda\gt0 the levels spread out going up, and for λ<0\lambda\lt0 they crowd together. The measurement in Worked example 1(d) puts the 121\to2 gap below the 010\to1 gap, so the levels crowd, so the effective λ\lambda is negative. That is what a bond that softens as it stretches should give, and it is the correct sign.

(c) An x^3\hat x^{3} term connects rungs differing by 11 or 33, by the same counting as Worked example 2(b), and never connects a rung to itself. So its diagonal element vanishes and it contributes nothing at leading order. The reason is (4.8.27): an odd power of x^\hat x is odd under reflection, the states have definite parity, and the integrand is odd. The cubic term does contribute at the next order, where it enters squared, and Chapter 4.15 handles it there.

(d) Part (b) says the overtone falls short of twice the fundamental by 3λx043\abs\lambda x_{0}^{4}. Measured, it falls short by (21.96397)(2-1.96397) times the fundamental, which is about 3.5 %3.5\ \% of ω\hbar\omega, so λx040.012ω\abs\lambda x_{0}^{4}\approx0.012\,\hbar\omega. The quartic term is therefore about one percent of the level spacing where the ladder is being used, which is what makes perturbation theory the right tool and Chapter 4.15 the right chapter. At high rungs the correction grows like n2n^{2} and the expansion fails, which is the same statement as a real bond having only finitely many bound vibrational levels before it dissociates.

The brick you just laid — one commutator, and a spectrum with nothing quoted

The factorisation, and where the half came from. The energy of an oscillator is a sum of two squares, and a sum of two squares wants to be a product. Writing X^2+P^2\hat X^{2}+\hat P^{2} as (X^iP^)(X^+iP^)(\hat X-\ii\hat P)(\hat X+\ii\hat P) fails by exactly one term, that term is i[X^,P^]-\ii[\hat X,\hat P], and in units of energy it is 12ω\half\hbar\omega. So the zero-point energy is visible in (4.8.5), before any eigenvalue problem has been posed, and it is the arithmetic price of factorising something whose factors do not commute. Naming the two factors a^\hat a and a^\hat a^{\dagger} turns the Hamiltonian into ω(a^a^+12)\hbar\omega(\hat a^{\dagger}\hat a+\half) and the canonical commutator into [a^,a^]=1[\hat a,\hat a^{\dagger}]=1, and from that point onward nothing about position, momentum, or the space they act on is used again.

The ladder, and the norm that stops it. From [a^,a^]=1[\hat a,\hat a^{\dagger}]=1 follow [N^,a^]=a^[\hat N,\hat a^{\dagger}]=\hat a^{\dagger} and [N^,a^]=a^[\hat N,\hat a]=-\hat a, and a commutator of that shape shifts an eigenvalue by a fixed step. That is the whole mechanism, and it is why the levels are evenly spaced. What bounds the ladder below is not a physical argument but a^ψ2=N^\norm{\hat a\ket\psi}^{2}=\avg{\hat N}, together with the fact that a squared length cannot be negative, which is the positive-definiteness axiom of Chapter 0.5 §1.1 and nothing else. A non-integer eigenvalue would descend past zero and produce a state of negative norm, so the eigenvalues are the non-negative integers and En=(n+12)ωE_{n}=(n+\half)\hbar\omega. Chapter 4.5 §5.2 reached the same numbers from a generating function and a differential equation, sharing not one step with this, and said in place that it expected them to be reproduced. They were.

The states, from one first-order equation. The ground state is what a^\hat a annihilates, and in position space that is ψ0=ξψ0\psi_{0}'=-\xi\psi_{0}, solved by separation in three lines and giving a Gaussian. Because a first-order equation has a one-dimensional solution space, the ground state is unique and every level is non-degenerate. Climbing with a^\hat a^{\dagger} generates the rest, and the raising operator turns out to be the Hermite recurrence Hn+1=2ξHnHnH_{n+1}=2\xi H_{n}-H_{n}', so the states produced here are Chapter 4.5's functions including their normalisation, which is a check that could have failed. Completeness is Chapter 4.5 §5.4's and is cited rather than reproved, which is what that section was built to license. Parity comes out of the algebra alone, since reflection reverses a^\hat a^{\dagger} and fixes the Gaussian, giving Π^n=(1)nn\hat\Pi\ket n=(-1)^{n}\ket n and the alternation Chapter 4.7 predicted by two other routes.

The classical connection, and the numbers. The ladder gives x^2=(n+12)/mω\avg{\hat x^{2}}=(n+\half)\hbar/m\omega and ΔxΔp=(n+12)\Delta x\,\Delta p=(n+\half)\hbar, so the ground state saturates Chapter 0.9 §6's bound and does so as a Gaussian, which is the only thing that can. Those two averages place the state exactly on Chapter 0.8's classical ellipse of the same energy, at every rung including the lowest. The enclosed area is 2πEn/ω=(n+12)h2\pi E_{n}/\omega=(n+\half)h, verified symbolically, so successive orbits differ by exactly one unit of Planck's constant and the innermost encloses half a unit. That collects Chapter 0.8's the area that Chapter 4.8 will quantise in full, and Chapter 1.3 §4.4's Bohr–Sommerfeld mark in one case only. Section 6.3 draws that second line: 1.3's condition is a general statement about bound one-dimensional motion, the general version is Chapter 4.10 §6's, and this chapter has derived the quadratic case exactly and said nothing about any other. It also collects Chapter 1.3's claim that an exact operator calculation using none of that reasoning would confirm it. Verified: a 6060-point grid Laplacian with 12x2\half x^{2} on the diagonal, containing no ladder operator and no Hermite function, returns the sixteen lowest levels as 0.5,1.5,,15.50.5,1.5,\dots,15.5 with the worst departure 1.2×10131.2\times10^{-13} and the worst gap error 6.2×10146.2\times10^{-14}, and its eigenvectors reproduce x^2\avg{\hat x^{2}} to 1.5×10141.5\times10^{-14}.

One mark, four leaned on, and two premises carrying none. The single flag in this chapter is experimental and is raised at the head of §8: the vibrational band positions of two isotopologues of hydrogen chloride, together with a bond length and three atomic masses, used in Worked example 1 to test a mass-ratio prediction that has no free parameter. Nothing in §§1 to 7 depends on any of it. Every result in §§1 to 7 is derived here or in a chapter that derived it. Worked example 1(c) is the one place where that stops being true, and it says so twice in its own text. It imports two premises: that two isotopologues share a force constant, which is a statement about the electronic problem, and that a reaction rate carries the Arrhenius factor eΔ/RT\ee^{-\Delta/RT}, which is a statement about chemistry. Neither is derived in this book and neither will be. The first is under test rather than assumed, and the second carries the factor of 7.77.7 entirely. Four marks standing elsewhere are leaned on and cited rather than raised again. Chapter 4.2 §8's postulate P6 is the commutator everything is built from. Chapter 4.6 §4.2's identification of H^\hat H with p^2/2m+V(x^)\hat p^{2}/2m+V(\hat x), which that chapter marks as chosen rather than derived, is the operator being solved. Chapter 4.5 §3's spectral theorem stands behind the claim that the ladder exhausts the spectrum, reaching this chapter through its §5.4's completeness proof. And Chapter 0.8 §1.1's Picard–Lindelöf mark stands behind §5.2's non-degeneracy, since the dimension count cited there is Chapter 0.8 §3.1's, and that is the section where 0.8 says its quoted theorem gets spent. One further debt is not a mark: Chapter 4.5 §5.5 settles which self-adjoint operator the formula (4.8.1) denotes, a question Chapter 4.4 showed is never automatic, and it settles it by construction rather than by quotation. Two statements are borrowed from chapters that come after this one, and both sit outside the derivations: Worked example 2(c) uses the fact that light couples to a charge through a term proportional to x^\hat x, which Chapter 4.17 derives, and Problem 4 is set up on Chapter 4.15's first-order perturbation formula, which it states as the problem's premise. Nothing in §§1 to 7 rests on either.

Where this gets spent. Chapter 4.9 §1 turns §6.1's one instance into the bound for every state, in a single multiplication, and its §2 then proves the general relation for an arbitrary pair of observables. Its §5 explains why the mean of any state in a quadratic potential follows the classical path, of which §7.4's coherent state is the case where the width holds still as well. Chapter 4.10 §6 recovers the Bohr–Sommerfeld condition from a real approximation scheme and scores it, and (4.8.31) is the one case where its answer is exact. Chapter 4.11 §4 runs §3's commutator on angular momentum and closes the ladder at both ends with §4's argument used twice, and Chapter 4.13 §4 runs it a third time on hydrogen's radial equation. Chapter 4.15 perturbs this spectrum, using Worked example 2's matrix elements and Worked example 3's exact answer as its score. Chapters 4.16 and 4.17 spend §5.6's parity. Chapter 5.3 attaches one copy of §§2 to 4 to every mode of a field, and the rung number becomes the number of particles, which is the sentence Chapter 0.8 wrote and which needed this chapter's algebra before it could be made good. Chapter 7.3 builds the Virasoro algebra out of the same commutators and Chapter 7.4 quantises a string with it. What this chapter does not do is solve any potential that is not quadratic, and the honest scale of that limitation is in Worked example 1(d), where a real molecular bond departs from the ladder by two percent at the second rung.