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Theme 3 — Postulates and Applications

Commutators, translations, and the virial theorem

Keywords: canonical commutator · translation operator · Ehrenfest theorem · virial theorem · stationary state

Exercise 1 : Commutators, translations, and the virial theorem

Consider a particle of mass mm on a line, with observables X^\hat X and P^\hat P satisfying [X^,P^]=iℏ1[\hat X,\hat P]=i\hbar\mathbf{1}, and Hamiltonian H^=P^2/(2m)+V(X^)\hat H=\hat P^2/(2m)+V(\hat X), where VV is a smooth function. Assume that the calculations are performed on sufficiently regular wave functions for all products to be well defined. Recall the rule [A^B^,C^]=A^[B^,C^]+[A^,C^]B^[\hat A\hat B,\hat C]=\hat A[\hat B,\hat C]+[\hat A,\hat C]\hat B.

Question 1
Prove by induction that, for every integer n≥1n\geq1, [X^,P^n]=iℏ n P^n−1[\hat X,\hat P^n]=i\hbar\,n\,\hat P^{n-1}. Hence show that [X^,f(P^)]=iℏf′(P^)[\hat X,f(\hat P)]=i\hbar f'(\hat P) for every polynomial ff. State without proof the analogous result for [P^,g(X^)][\hat P,g(\hat X)].

Solution
For n=1n=1, this is the canonical relation. Suppose the formula holds at rank nn. Writing P^n+1=P^nP^\hat P^{n+1}=\hat P^n\hat P and using the stated rule in the form [C^,A^B^]=A^[C^,B^]+[C^,A^]B^[\hat C,\hat A\hat B]=\hat A[\hat C,\hat B]+[\hat C,\hat A]\hat B gives

[X^,P^n+1]=P^n[X^,P^]+[X^,P^n]P^=iℏP^n+iℏnP^n−1P^=iℏ(n+1)P^n,[\hat X,\hat P^{n+1}]=\hat P^n[\hat X,\hat P]+[\hat X,\hat P^n]\hat P=i\hbar\hat P^n+i\hbar n\hat P^{n-1}\hat P=i\hbar(n+1)\hat P^n,

which establishes the formula at rank n+1n+1. Since the commutator is linear, it follows for a polynomial f(p)=∑nanpnf(p)=\sum_na_np^n that

[X^,f(P^)]=∑nan[X^,P^n]=iℏ∑nnanP^n−1=iℏf′(P^).[\hat X,f(\hat P)]=\sum_na_n[\hat X,\hat P^n]=i\hbar\sum_nna_n\hat P^{n-1}=i\hbar f'(\hat P).

The commutator with X^\hat X therefore acts as differentiation with respect to P^\hat P. The same argument, starting from [P^,X^]=−iℏ1[\hat P,\hat X]=-i\hbar\mathbf{1}, gives [P^,g(X^)]=−iℏ g′(X^)[\hat P,g(\hat X)]=-i\hbar\,g'(\hat X), a result that can also be verified directly in the position representation, where P^=−iℏ d/dx\hat P=-i\hbar\,d/dx. These formulae extend to functions admitting a power-series expansion.

Question 2
Consider the translation operator T(a)=e−iaP^/ℏT(a)=e^{-ia\hat P/\hbar}, with aa real. Calculate [X^,T(a)][\hat X,T(a)], then show that T(a)†X^ T(a)=X^+a1T(a)^\dagger\hat X\,T(a)=\hat X+a\mathbf{1}. Interpret this result by calculating the expectation value of position in the state T(a)∣ψ⟩T(a)\ket\psi.

Solution
From the previous question, with f(p)=e−iap/ℏf(p)=e^{-iap/\hbar}, whose derivative is f′(p)=−iaℏf(p)f'(p)=-\frac{ia}{\hbar}f(p),

[X^,T(a)]=iℏ(−iaℏ)T(a)=a T(a).[\hat X,T(a)]=i\hbar\Bigl(-\frac{ia}{\hbar}\Bigr)T(a)=a\,T(a).

Thus X^T(a)=T(a)X^+aT(a)\hat XT(a)=T(a)\hat X+aT(a). The operator T(a)T(a) is unitary, since T(a)†=eiaP^/ℏ=T(−a)=T(a)−1T(a)^\dagger=e^{ia\hat P/\hbar}=T(-a)=T(a)^{-1}, as P^\hat P is self-adjoint. Multiplying on the left by T(a)†T(a)^\dagger gives

T(a)†X^ T(a)=X^+a1.T(a)^\dagger\hat X\,T(a)=\hat X+a\mathbf{1}.

For the translated state ∣ψa⟩=T(a)∣ψ⟩\ket{\psi_a}=T(a)\ket\psi, the expectation value of position is therefore

⟨ψa∣X^∣ψa⟩=⟨ψ∣T(a)†X^T(a)∣ψ⟩=⟨X^⟩ψ+a.\bra{\psi_a}\hat X\ket{\psi_a}=\bra\psi T(a)^\dagger\hat XT(a)\ket\psi=\langle\hat X\rangle_\psi+a .

The operator T(a)T(a) does indeed translate the state a distance aa to the right, consistently with its action (T(a)ψ)(x)=ψ(x−a)(T(a)\psi)(x)=\psi(x-a) in the position representation.

Question 3
Calculate the commutator [H^,X^P^][\hat H,\hat X\hat P]. Using Ehrenfest's theorem, hence derive an expression for ddt⟨X^P^⟩\frac{d}{dt}\langle\hat X\hat P\rangle.

Solution
Using the stated rule,

[H^,X^P^]=[H^,X^] P^+X^ [H^,P^].[\hat H,\hat X\hat P]=[\hat H,\hat X]\,\hat P+\hat X\,[\hat H,\hat P].

On the one hand, only the kinetic energy contributes to the first commutator and, from the first question, [P^2,X^]=−[X^,P^2]=−2iℏP^[\hat P^2,\hat X]=-[\hat X,\hat P^2]=-2i\hbar\hat P, so [H^,X^]=−iℏmP^[\hat H,\hat X]=-\frac{i\hbar}{m}\hat P. On the other hand, only the potential contributes to the second, and [H^,P^]=[V(X^),P^]=iℏV′(X^)[\hat H,\hat P]=[V(\hat X),\hat P]=i\hbar V'(\hat X). Thus

[H^,X^P^]=−iℏmP^2+iℏ X^V′(X^).[\hat H,\hat X\hat P]=-\frac{i\hbar}{m}\hat P^2+i\hbar\,\hat XV'(\hat X).

The operator X^P^\hat X\hat P has no explicit time dependence, and Ehrenfest's theorem gives

ddt⟨X^P^⟩=iℏ⟨[H^,X^P^]⟩=⟨P^2⟩m−⟨X^V′(X^)⟩.\frac{d}{dt}\langle\hat X\hat P\rangle=\frac{i}{\hbar}\langle[\hat H,\hat X\hat P]\rangle=\frac{\langle\hat P^2\rangle}{m}-\langle\hat XV'(\hat X)\rangle .

Note that X^P^\hat X\hat P is not self-adjoint, but Ehrenfest's theorem, which relies only on the Schrödinger equation, still applies to its expectation value.

Question 4
Hence show that, in a stationary state, the expectation value of the kinetic energy ⟨T^⟩=⟨P^2⟩/(2m)\langle\hat T\rangle=\langle\hat P^2\rangle/(2m) satisfies the virial theorem

2⟨T^⟩=⟨X^V′(X^)⟩.2\langle\hat T\rangle=\langle\hat XV'(\hat X)\rangle .

Apply this result to the harmonic oscillator V(x)=12mω2x2V(x)=\frac12m\omega^2x^2 and to a potential V(x)=λ∣x∣V(x)=\lambda|x|, where λ>0\lambda>0.

Solution
In a stationary state, all expectation values of time-independent observables are constant, since the state changes only by a global phase. The left-hand side of the preceding relation therefore vanishes, and ⟨P^2⟩/m=⟨X^V′(X^)⟩\langle\hat P^2\rangle/m=\langle\hat XV'(\hat X)\rangle, that is, 2⟨T^⟩=⟨X^V′(X^)⟩2\langle\hat T\rangle=\langle\hat XV'(\hat X)\rangle.

For the harmonic oscillator, xV′(x)=mω2x2=2V(x)xV'(x)=m\omega^2x^2=2V(x), and the theorem gives ⟨T^⟩=⟨V⟩\langle\hat T\rangle=\langle V\rangle: in every eigenstate, the energy is divided equally between kinetic and potential energy, each equal to En/2E_n/2. For the potential λ∣x∣\lambda|x|, we have xV′(x)=λx sgn(x)=λ∣x∣=V(x)xV'(x)=\lambda x\,\mathrm{sgn}(x)=\lambda|x|=V(x), hence 2⟨T^⟩=⟨V⟩2\langle\hat T\rangle=\langle V\rangle: the expectation value of the potential energy is twice that of the kinetic energy, and therefore ⟨V⟩=23E\langle V\rangle=\frac23E and ⟨T^⟩=13E\langle\hat T\rangle=\frac13E. More generally, for V(x)∝∣x∣sV(x)\propto|x|^s, we find 2⟨T^⟩=s⟨V⟩2\langle\hat T\rangle=s\langle V\rangle. The case of the three-dimensional Coulomb potential, s=−1s=-1, gives 2⟨T^⟩=−⟨V⟩2\langle\hat T\rangle=-\langle V\rangle, a result that can be verified for the ground state of the hydrogen atom.