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Problem set 3

These are my solutions to the problem sets assigned to me during the graduate-level quantum mechanics course.

Problem 1

1. In a one-dimensional problem, consider a particle of potential energy V(X)=−fXV\left(X\right)=-fX, where ff is a positive constant.

a) Write Ehrenfest’s theorem for the mean values of the position XX and the momentum PP of the particle. Integrate these equations; compare with the classical motion.

b) Show that the root-mean-square deviation ΔP\Delta P does not vary over time.

c) Write the Schrodinger equation in the ∣p⟩\left|p\right\rangle representation. Deduce from it a relation between ∂∂t∣⟨p∣Ψ(t)⟩∣2\frac{\partial}{\partial t}\left|\left\langle p|\Psi\left(t\right)\right\rangle \right|^{2} and ∂∂p∣⟨p∣Ψ(t)⟩∣2\frac{\partial}{\partial p}\left|\left\langle p|\Psi\left(t\right)\right\rangle \right|^{2}. Integrate the equation thus obtained; give a physical interpretation.

Dados do enunciado:

a)

A encontrar:

Equações:

Então para XX:

d⟨X⟩dt=−iℏ⟨[X,H]⟩+⟨∂X∂t⟩\frac{d\left\langle X\right\rangle }{dt}=-\frac{i}{\hbar}\left\langle \left[X,H\right]\right\rangle +\left\langle \frac{\partial X}{\partial t}\right\rangle

Como o operador XX não depende explícitamente do tempo, temos:

d⟨X⟩dt=−iℏ⟨[X,H]⟩=⟨∂H∂P⟩=⟨P⟩m\begin{align*} \frac{d\left\langle X\right\rangle }{dt}= & -\frac{i}{\hbar}\left\langle \left[X,H\right]\right\rangle =\left\langle \frac{\partial H}{\partial P}\right\rangle =\frac{\left\langle P\right\rangle }{m} \end{align*}

E de modo análogo para PP:

d⟨P⟩dt=−iℏ⟨[P,H]⟩+⟨∂P∂t⟩=−iℏ⟨[P,H]⟩=−⟨∂H∂X⟩=−⟨∂V∂X⟩=f\frac{d\left\langle P\right\rangle }{dt}=-\frac{i}{\hbar}\left\langle \left[P,H\right]\right\rangle +\left\langle \frac{\partial P}{\partial t}\right\rangle =-\frac{i}{\hbar}\left\langle \left[P,H\right]\right\rangle =-\left\langle \frac{\partial H}{\partial X}\right\rangle =-\left\langle \frac{\partial V}{\partial X}\right\rangle =f

Logo obtemos então:

md⟨X⟩dt=⟨P⟩d⟨P⟩dt=−⟨∂V∂X⟩m\frac{d\left\langle X\right\rangle }{dt}=\left\langle P\right\rangle \qquad\frac{d\left\langle P\right\rangle }{dt}=-\left\langle \frac{\partial V}{\partial X}\right\rangle

Uma vez que ∂V∂X=−fI\frac{\partial V}{\partial X}=-f\mathbb{I}, e o valor esperado do operador identidade I\mathbb{I} a respeito do estado normalizado é 1. Integrando então a equação para o momento de t=0t=0 a tt e denotando ⟨P⟩0=⟨P⟩t=0\left\langle P\right\rangle _{0}=\left\langle P\right\rangle _{t=0} :

d⟨P⟩=fdt⟨P⟩−⟨P⟩0=ft⟨P⟩=⟨P⟩0+ft\begin{align*} d\left\langle P\right\rangle & =fdt\\ \left\langle P\right\rangle -\left\langle P\right\rangle _{0} & =ft\\ \left\langle P\right\rangle & =\left\langle P\right\rangle _{0}+ft \end{align*}

E resolvendo então para a posição, temos:

d⟨X⟩=⟨P⟩mdtd⟨X⟩=(⟨P⟩0+ft)1mdt⟨X⟩−⟨X⟩0=⟨P⟩0tm+ft22m⟨X⟩=⟨X⟩0+⟨P⟩0tm+ft22m\begin{align*} d\left\langle X\right\rangle & =\frac{\left\langle P\right\rangle }{m}dt\\ d\left\langle X\right\rangle & =\left(\left\langle P\right\rangle _{0}+ft\right)\frac{1}{m}dt\\ \left\langle X\right\rangle -\left\langle X\right\rangle _{0} & =\left\langle P\right\rangle _{0}\frac{t}{m}+\frac{ft^{2}}{2m}\\ \left\langle X\right\rangle & =\left\langle X\right\rangle _{0}+\left\langle P\right\rangle _{0}\frac{t}{m}+\frac{ft^{2}}{2m} \end{align*}

Então os resultados são:

⟨P⟩=⟨P⟩0+ft⟨X⟩=⟨X⟩0+⟨P⟩0tm+ft22m\left\langle P\right\rangle =\left\langle P\right\rangle _{0}+ft\qquad\left\langle X\right\rangle =\left\langle X\right\rangle _{0}+\left\langle P\right\rangle _{0}\frac{t}{m}+\frac{ft^{2}}{2m}

Estes resultados tem a forma idêntica quando comparado com o movimento clássico:

b)

A encontrar:

Equações:

Então, a partir do Teorema generalizado de Ehrenfest, tendo O=HO=H, e sendo o hamiltoniano independente do tempo, sendo que comuta conigo mesmo, então d⟨H⟩dt=⟨[O,H]⟩=⟨∂H∂t⟩=0\frac{d\left\langle H\right\rangle }{dt}=\left\langle \left[O,H\right]\right\rangle =\left\langle \frac{\partial H}{\partial t}\right\rangle =0. Dessa forma, utilizando o lado esquerdo da igualdade, o hamiltoniano do problema e o resultado obtido na solução anterior para derivada teporal de ⟨X⟩\left\langle X\right\rangle, temos:

d⟨H⟩dt=ddt⟨P22m−fX⟩0=12mddt⟨P2⟩−fddt⟨X⟩0=12mddt⟨P2⟩−f⟨P⟩mddt⟨P2⟩=2f⟨P⟩m\begin{align*} \frac{d\left\langle H\right\rangle }{dt} & =\frac{d}{dt}\left\langle \frac{P^{2}}{2m}-fX\right\rangle \\ 0 & =\frac{1}{2m}\frac{d}{dt}\left\langle P^{2}\right\rangle -f\frac{d}{dt}\left\langle X\right\rangle \\ 0 & =\frac{1}{2m}\frac{d}{dt}\left\langle P^{2}\right\rangle -f\frac{\left\langle P\right\rangle }{m}\\ \frac{d}{dt}\left\langle P^{2}\right\rangle & =2f\frac{\left\langle P\right\rangle }{m} \end{align*}

E também do resultado anterior obtemos a derivada temporal de ⟨P⟩\left\langle P\right\rangle, então:

ddt⟨P⟩2=2⟨P⟩ddt⟨P⟩=2f⟨P⟩\begin{align*} \frac{d}{dt}\left\langle P\right\rangle ^{2} & =2\left\langle P\right\rangle \frac{d}{dt}\left\langle P\right\rangle \\ & =2f\left\langle P\right\rangle \end{align*}

Temos que o quadrado do desvio padrão é:

(ΔP)2=⟨P2⟩−⟨P⟩2\left(\Delta P\right)^{2}=\left\langle P^{2}\right\rangle -\left\langle P\right\rangle ^{2}

Derivando e substituindo então os resultados encontrados:

ddt(ΔP)2=ddt(⟨P2⟩−⟨P⟩2)(ΔP)ddt(ΔP)=2f⟨P⟩m−2f⟨P⟩ddt(ΔP)=0\begin{align*} \frac{d}{dt}\left(\Delta P\right)^{2} & =\frac{d}{dt}\left(\left\langle P^{2}\right\rangle -\left\langle P\right\rangle ^{2}\right)\\ \left(\Delta P\right)\frac{d}{dt}\left(\Delta P\right) & =2f\frac{\left\langle P\right\rangle }{m}-2f\left\langle P\right\rangle \\ \frac{d}{dt}\left(\Delta P\right) & =0 \end{align*}

Logo ΔP\Delta P não varia no tempo.

c)

A encontrar:

Equações:

A equação de Schrodinger então, na representação {∣p⟩}\left\{ \left|p\right\rangle \right\}:

iℏ∂∂t⟨p∣Ψ(t)⟩=⟨p∣H∣Ψ(t)⟩=⟨p∣(P22m−fX)∣Ψ(t)⟩=⟨p∣P2∣Ψ(t)⟩2m−f⟨p∣X∣Ψ(t)⟩\begin{align*} i\hbar\frac{\partial}{\partial t}\left\langle p|\Psi\left(t\right)\right\rangle & =\left\langle p\right|H\left|\Psi\left(t\right)\right\rangle \\ & =\left\langle p\right|\left(\frac{P^{2}}{2m}-fX\right)\left|\Psi\left(t\right)\right\rangle \\ & =\frac{\left\langle p\left|P^{2}\right|\Psi\left(t\right)\right\rangle }{2m}-f\left\langle p\left|X\right|\Psi\left(t\right)\right\rangle \end{align*}

Sendo então a função de onda na representação {∣p⟩}\left\{ \left|p\right\rangle \right\} definida como ψ(p,t)≡⟨p∣Ψ(t)⟩\psi\left(p,t\right)\equiv\left\langle p|\Psi\left(t\right)\right\rangle, PP auto-adjunto e P∣p⟩=p∣p⟩P\left|p\right\rangle =p\left|p\right\rangle, além disso precisamos lembrar que na representação do momento temos X=iℏ∂∂pX=i\hbar\frac{\partial}{\partial p}, então:

iℏd⟨p∣Ψ(t)⟩dt=p2⟨p∣Ψ(t)⟩2m−fiℏ∂∂p⟨p∣Ψ(t)⟩=(p22m−fiℏ∂∂p)⟨p∣Ψ(t)⟩iℏdψ(p,t)dt=(p22m−fiℏ∂∂p)ψ(p,t)\begin{align*} i\hbar\frac{d\left\langle p|\Psi\left(t\right)\right\rangle }{dt} & =p^{2}\frac{\left\langle p|\Psi\left(t\right)\right\rangle }{2m}-fi\hbar\frac{\partial}{\partial p}\left\langle p|\Psi\left(t\right)\right\rangle \\ & =\left(\frac{p^{2}}{2m}-fi\hbar\frac{\partial}{\partial p}\right)\left\langle p|\Psi\left(t\right)\right\rangle \\ i\hbar\frac{d\psi\left(p,t\right)}{dt} & =\left(\frac{p^{2}}{2m}-fi\hbar\frac{\partial}{\partial p}\right)\psi\left(p,t\right) \end{align*}

Então agora queremos deduzir uma relação entre ∂∂t∣ψ(p,t)∣2\frac{\partial}{\partial t}\left|\psi\left(p,t\right)\right|^{2} e ∂∂p∣ψ(p,t)∣2\frac{\partial}{\partial p}\left|\psi\left(p,t\right)\right|^{2}. Derivandoe usando o resultado obtido interiormente:

∂∂t∣ψ(p,t)∣2=∂∂t(ψ∗(p,t)ψ(p,t))=ψ∗(p,t)∂∂tψ(p,t)+ψ(p,t)∂∂tψ∗(p,t)=ψ∗(p,t)(−ip22mℏ−f∂∂p)ψ(p,t)+ψ(p,t)(ip22mℏ−f∂∂p)ψ∗(p,t)=−fψ∗(p,t)∂∂pψ(p,t)−fψ(p,t)∂∂pψ∗(p,t)=−f[ψ∗(p,t)∂∂pψ(p,t)+ψ(p,t)∂∂pψ∗(p,t)]=−f[∂∂p(ψ∗(p,t)ψ(p,t))]=−f∂∂p∣ψ(p,t)∣2\begin{align*} \frac{\partial}{\partial t}\left|\psi\left(p,t\right)\right|^{2} & =\frac{\partial}{\partial t}\left(\psi^{*}\left(p,t\right)\psi\left(p,t\right)\right)\\ & =\psi^{*}\left(p,t\right)\frac{\partial}{\partial t}\psi\left(p,t\right)+\psi\left(p,t\right)\frac{\partial}{\partial t}\psi^{*}\left(p,t\right)\\ & =\psi^{*}\left(p,t\right)\left(-\frac{ip^{2}}{2m\hbar}-f\frac{\partial}{\partial p}\right)\psi\left(p,t\right)+\psi\left(p,t\right)\left(\frac{ip^{2}}{2m\hbar}-f\frac{\partial}{\partial p}\right)\psi^{*}\left(p,t\right)\\ & =-f\psi^{*}\left(p,t\right)\frac{\partial}{\partial p}\psi\left(p,t\right)-f\psi\left(p,t\right)\frac{\partial}{\partial p}\psi^{*}\left(p,t\right)\\ & =-f\left[\psi^{*}\left(p,t\right)\frac{\partial}{\partial p}\psi\left(p,t\right)+\psi\left(p,t\right)\frac{\partial}{\partial p}\psi^{*}\left(p,t\right)\right]\\ & =-f\left[\frac{\partial}{\partial p}\left(\psi^{*}\left(p,t\right)\psi\left(p,t\right)\right)\right]\\ & =-f\frac{\partial}{\partial p}\left|\psi\left(p,t\right)\right|^{2} \end{align*}

Denotando então Φ(p,t)≡∣ψ(p,t)∣2\Phi\left(p,t\right)\equiv\left|\psi\left(p,t\right)\right|^{2} para facilitar. Então a relação obtida é:

∂Φ(p,t)∂t=−f∂Φ(p,t)∂p\frac{\partial\Phi\left(p,t\right)}{\partial t}=-f\frac{\partial\Phi\left(p,t\right)}{\partial p}

Fazendo as seguintes mudanças de variáveis:

r≡p−fts≡p+ftr\equiv p-ft\qquad s\equiv p+ft

Então:

∂Φ(p,t)∂t=∂Φ(p,t)∂r∂r∂t+∂Φ(p,t)∂s∂s∂t=f(∂Φ(p,t)∂s−∂Φ(p,t)∂r)\begin{align*} \frac{\partial\Phi\left(p,t\right)}{\partial t} & =\frac{\partial\Phi\left(p,t\right)}{\partial r}\frac{\partial r}{\partial t}+\frac{\partial\Phi\left(p,t\right)}{\partial s}\frac{\partial s}{\partial t}\\ & =f\left(\frac{\partial\Phi\left(p,t\right)}{\partial s}-\frac{\partial\Phi\left(p,t\right)}{\partial r}\right) \end{align*}

E de modo análogo:

∂Φ(p,t)∂p=∂Φ(p,t)∂r∂r∂p+∂Φ(p,t)∂s∂s∂p=∂Φ(p,t)∂s+∂Φ(p,t)∂r\begin{align*} \frac{\partial\Phi\left(p,t\right)}{\partial p} & =\frac{\partial\Phi\left(p,t\right)}{\partial r}\frac{\partial r}{\partial p}+\frac{\partial\Phi\left(p,t\right)}{\partial s}\frac{\partial s}{\partial p}\\ & =\frac{\partial\Phi\left(p,t\right)}{\partial s}+\frac{\partial\Phi\left(p,t\right)}{\partial r} \end{align*}

Substituindo então:

∂Φ(p,t)∂t=−f∂Φ(p,t)∂pf(∂Φ(p,t)∂s−∂Φ(p,t)∂r)=−f(∂Φ(p,t)∂s+∂Φ(p,t)∂r)f∂Φ(p,t)∂s=−f∂Φ(p,t)∂s∂Φ(p,t)∂s=0\begin{align*} \frac{\partial\Phi\left(p,t\right)}{\partial t} & =-f\frac{\partial\Phi\left(p,t\right)}{\partial p}\\ f\left(\frac{\partial\Phi\left(p,t\right)}{\partial s}-\frac{\partial\Phi\left(p,t\right)}{\partial r}\right) & =-f\left(\frac{\partial\Phi\left(p,t\right)}{\partial s}+\frac{\partial\Phi\left(p,t\right)}{\partial r}\right)\\ f\frac{\partial\Phi\left(p,t\right)}{\partial s} & =-f\frac{\partial\Phi\left(p,t\right)}{\partial s}\\ \frac{\partial\Phi\left(p,t\right)}{\partial s} & =0 \end{align*}

Logo Φ\Phi é uma função apenas de rr. Isto é:

Φ(p,t)=g(r)=g(p−ft)\Phi\left(p,t\right)=g\left(r\right)=g\left(p-ft\right)

Onde g(r)g\left(r\right) é um função qualquer. E como:

Φ(p−ft,0)=g(r)=g(p−ft)\Phi\left(p-ft,0\right)=g\left(r\right)=g\left(p-ft\right)

Então:

Φ(p,t)=Φ(p−ft,0)\Phi\left(p,t\right)=\Phi\left(p-ft,0\right)

E uma vez que Φ(p,t)≡∣ψ(p,t)∣2\Phi\left(p,t\right)\equiv\left|\psi\left(p,t\right)\right|^{2}, então singifica que a distribuição de probabilidade epp se move de acordo com a equação clássica do movimento p=p0+ftp=p_{0}+ft. Isto é um resultado esperado uma vez que a equação 15 é um caso particular de equação de transporte linearLima (2013), ou seja, ela modela o transporte um dado inicial, o que neste caso é a distribuição de probabilidade. Podemos ainda integrar explícitamente a edp de primeira ordem utilizando o método de separação de varáiveis:

−∂Φ(p,t)∂t1f=∂Φ(p,t)∂p-\frac{\partial\Phi\left(p,t\right)}{\partial t}\frac{1}{f}=\frac{\partial\Phi\left(p,t\right)}{\partial p}

Supondo uma solução do tipo Φ(p,t)=P(p)T(t)\Phi\left(p,t\right)=P\left(p\right)T\left(t\right), temos:

−1f∂P(p)T(t)∂t=∂P(p)T(t)∂p−1fT(t)∂T(t)∂t=1P(p)∂P(p)∂p\begin{align*} -\frac{1}{f}\frac{\partial P\left(p\right)T\left(t\right)}{\partial t} & =\frac{\partial P\left(p\right)T\left(t\right)}{\partial p}\\ -\frac{1}{fT\left(t\right)}\frac{\partial T\left(t\right)}{\partial t} & =\frac{1}{P\left(p\right)}\frac{\partial P\left(p\right)}{\partial p} \end{align*}

Então:

−1T(t)∂T(t)∂t=fP(p)∂P(p)∂p=λ-\frac{1}{T\left(t\right)}\frac{\partial T\left(t\right)}{\partial t}=\frac{f}{P\left(p\right)}\frac{\partial P\left(p\right)}{\partial p}=\lambda

Onde λ\lambda é uma constante. Resolvendo então:

∂T(t)∂t=−fλT\frac{\partial T\left(t\right)}{\partial t}=-f\lambda T

Temos: T(t)=Ae(−λf)tT\left(t\right)=Ae^{\left(-\lambda f\right)t}. E de forma análoga:

∂P(p)∂p=λP\frac{\partial P\left(p\right)}{\partial p}=\lambda P

Então P(p)=BeλpP\left(p\right)=Be^{\lambda p} e nossa solução pode ser escrita como:

Φ(p,t)=Aeλpe−λft=Aexp⁡[λ(p−ft)]\Phi\left(p,t\right)=Ae^{\lambda p}e^{-\lambda ft}=A\exp\left[\lambda\left(p-ft\right)\right]

Como esperado:

Φ(p−ft,0)=Aexp⁡[λ(p−ft)]=Φ(p,t)\Phi\left(p-ft,0\right)=A\exp\left[\lambda\left(p-ft\right)\right]=\Phi\left(p,t\right)

Para facilitar a compreensão podemos fixar um p=p′p=p' e pensar na função no momento e instante Φ(p′−ft′,0)\Phi\left(p'-ft',0\right). A densidade de probabilidade em p=p′−ft′p=p'-ft' no instante t=0t=0, vai ser transportada para p=p′p=p' no instante t=t′t=t', em uma analogia com o caso clássico, isso ocorre com uma “velocidade” (entre aspas pois não tem dimensão de velocidade, mas de força) ff.

Problem 2

Consider a free particle.

a) Show, applying Ehrenfest’s theorem, that ⟨X⟩\left\langle X\right\rangle is a linear function of time, the mean value ⟨P⟩\left\langle P\right\rangle remaining constant.

b) Write the equations of motion for the mean values ⟨X2⟩\left\langle X^{2}\right\rangle and ⟨XP+PX⟩\left\langle XP+PX\right\rangle. Integrate these equations.

c) Show that, with a suitable choice of the time origin, the root-mean-square deviation ΔX\Delta X is given by:

(ΔX)2=1m2(ΔP)02t2+(ΔX)02\left(\Delta X\right)^{2}=\frac{1}{m^{2}}\left(\Delta P\right)^{2}_{0}t^{2}+\left(\Delta X\right)^{2}_{0}

where (ΔX)0\left(\Delta X\right)_{0} and (ΔP)0\left(\Delta P\right)_{0} are the root-mean-square deviations at the initial time

a)

A encontrar:

Equações:

Temos então que:

ddt⟨X⟩=⟨P⟩mddt⟨P⟩=0\frac{d}{dt}\left\langle X\right\rangle =\frac{\left\langle P\right\rangle }{m}\qquad\frac{d}{dt}\left\langle P\right\rangle =0

Dessa forma já mostramos que ⟨P⟩\left\langle P\right\rangle é constante. E integrando ⟨X⟩\left\langle X\right\rangle, obtemos:

d⟨X⟩=⟨P⟩mdt⟨X⟩−⟨X⟩0=⟨P⟩mt⟨X⟩=⟨X⟩0+⟨P⟩0mt\begin{align*} d\left\langle X\right\rangle & =\frac{\left\langle P\right\rangle }{m}dt\\ \left\langle X\right\rangle -\left\langle X\right\rangle _{0} & =\frac{\left\langle P\right\rangle }{m}t\\ \left\langle X\right\rangle & =\left\langle X\right\rangle _{0}+\frac{\left\langle P\right\rangle _{0}}{m}t \end{align*}

Onde denotamos ⟨P⟩0=⟨P⟩\left\langle P\right\rangle _{0}=\left\langle P\right\rangle uma vez que é constante, dessa forma ⟨X⟩\left\langle X\right\rangle é uma função linear do tempo.

b)

A encontrar:

Equações:

Do teorema generalizado então, para o operador O=X2O=X^{2}, uma vez que o operador não depende explícitamente do tempo:

d⟨O⟩dt=−iℏ⟨[O,H]⟩+⟨∂O∂t⟩d⟨X2⟩dt=−iℏ⟨[X2,P22m]⟩+⟨∂X2∂t⟩=−i2mℏ⟨[X2,P2]⟩+0\begin{align*} \frac{d\left\langle O\right\rangle }{dt}= & -\frac{i}{\hbar}\left\langle \left[O,H\right]\right\rangle +\left\langle \frac{\partial O}{\partial t}\right\rangle \\ \frac{d\left\langle X^{2}\right\rangle }{dt}= & -\frac{i}{\hbar}\left\langle \left[X^{2},\frac{P^{2}}{2m}\right]\right\rangle +\left\langle \frac{\partial X^{2}}{\partial t}\right\rangle \\ = & -\frac{i}{2m\hbar}\left\langle \left[X^{2},P^{2}\right]\right\rangle +0 \end{align*}

Sabendo que [X,P]=iℏ\left[X,P\right]=i\hbar, então

[X2,P2]=XXP2−P2XX=(XXP2−XP2X)+(XP2X−P2XX)=X(XP2−P2X)+(XP2−P2X)X=X(XP2−P2X)+(XP2−P2X)X=X([XPP−PXP]+[PXP−PPX])+([XPP−PXP]+[PXP−PPX])X=X([XP−PX]P+P[XP−PX])+([XP−PX]P+P[XP−PX])X=X([X,P]P+P[X,P])+([X,P]P+P[X,P])X=iℏ(X(P+P)+(P+P)X)=2iℏ(XP+PX)\begin{align*} \left[X^{2},P^{2}\right] & =XXP^{2}-P^{2}XX\\ & =\left(XXP^{2}-XP^{2}X\right)+\left(XP^{2}X-P^{2}XX\right)\\ & =X\left(XP^{2}-P^{2}X\right)+\left(XP^{2}-P^{2}X\right)X\\ & =X\left(XP^{2}-P^{2}X\right)+\left(XP^{2}-P^{2}X\right)X\\ & =X\left(\left[XPP-PXP\right]+\left[PXP-PPX\right]\right)+\left(\left[XPP-PXP\right]+\left[PXP-PPX\right]\right)X\\ & =X\left(\left[XP-PX\right]P+P\left[XP-PX\right]\right)+\left(\left[XP-PX\right]P+P\left[XP-PX\right]\right)X\\ & =X\left(\left[X,P\right]P+P\left[X,P\right]\right)+\left(\left[X,P\right]P+P\left[X,P\right]\right)X\\ & =i\hbar\left(X\left(P+P\right)+\left(P+P\right)X\right)\\ & =2i\hbar\left(XP+PX\right) \end{align*}

Então:

d⟨X2⟩dt=−i2mℏ⟨[X2,P2]⟩=1m⟨XP+PX⟩\begin{align*} \frac{d\left\langle X^{2}\right\rangle }{dt}= & -\frac{i}{2m\hbar}\left\langle \left[X^{2},P^{2}\right]\right\rangle \\ = & \frac{1}{m}\left\langle XP+PX\right\rangle \end{align*}

E para ⟨XP+PX⟩\left\langle XP+PX\right\rangle, temos de modo análogo:

d⟨XP+PX⟩dt=−iℏ⟨[XP+PX,P22m]⟩=−i2mℏ⟨[XP+PX,P2]⟩\begin{align*} \frac{d\left\langle XP+PX\right\rangle }{dt}= & -\frac{i}{\hbar}\left\langle \left[XP+PX,\frac{P^{2}}{2m}\right]\right\rangle \\ = & -\frac{i}{2m\hbar}\left\langle \left[XP+PX,P^{2}\right]\right\rangle \end{align*}

Então:

[XP+PX,P2]=(XP+PX)P2−P2(XP+PX)=([XP−PX]+PX+PX)P2−P2([XP−XP]+XP+PX)=([X,‘P]+PX+PX)P2−P2([X,‘P]+XP+PX)=(iℏ+2PX)P2−P2(iℏ+2PX)=2[PXP2−P2PX]=2P[XPP−PPX]=2P[(XPP−PXP)+(PXP−PPX)]=2P[(XP−PX)P+P(XP−PX)]=2P[[X,P]P+P[X,P]]=2P[iℏP+iℏP]=4iℏP2\begin{align*} \left[XP+PX,P^{2}\right] & =\left(XP+PX\right)P^{2}-P^{2}\left(XP+PX\right)\\ & =\left(\left[XP-PX\right]+PX+PX\right)P^{2}-P^{2}\left(\left[XP-XP\right]+XP+PX\right)\\ & =\left(\left[X,`P\right]+PX+PX\right)P^{2}-P^{2}\left(\left[X,`P\right]+XP+PX\right)\\ & =\left(i\hbar+2PX\right)P^{2}-P^{2}\left(i\hbar+2PX\right)\\ & =2\left[PXP^{2}-P^{2}PX\right]\\ & =2P\left[XPP-PPX\right]\\ & =2P\left[\left(XPP-PXP\right)+\left(PXP-PPX\right)\right]\\ & =2P\left[\left(XP-PX\right)P+P\left(XP-PX\right)\right]\\ & =2P\left[\left[X,P\right]P+P\left[X,P\right]\right]\\ & =2P\left[i\hbar P+i\hbar P\right]\\ & =4i\hbar P^{2} \end{align*}

Então:

d⟨XP+PX⟩dt=−iℏ⟨4iℏP2⟩=2m⟨P2⟩\begin{align*} \frac{d\left\langle XP+PX\right\rangle }{dt}= & -\frac{i}{\hbar}\left\langle 4i\hbar P^{2}\right\rangle \\ = & \frac{2}{m}\left\langle P^{2}\right\rangle \end{align*}

Integrando temos então para ⟨XP+PX⟩\left\langle XP+PX\right\rangle:

⟨XP+PX⟩=⟨XP+PX⟩0+2tm⟨P2⟩\left\langle XP+PX\right\rangle =\left\langle XP+PX\right\rangle _{0}+\frac{2t}{m}\left\langle P^{2}\right\rangle

E subtituindo o resultado para ⟨X2⟩\left\langle X^{2}\right\rangle.

d⟨X2⟩dt=1m⟨XP+PX⟩0+2tm2⟨P2⟩\frac{d\left\langle X^{2}\right\rangle }{dt}=\frac{1}{m}\left\langle XP+PX\right\rangle _{0}+\frac{2t}{m^{2}}\left\langle P^{2}\right\rangle

Logo:

⟨X2⟩=⟨X2⟩0+tm⟨XP+PX⟩0+⟨P2⟩t2m2\left\langle X^{2}\right\rangle =\left\langle X^{2}\right\rangle _{0}+\frac{t}{m}\left\langle XP+PX\right\rangle _{0}+\left\langle P^{2}\right\rangle \frac{t^{2}}{m^{2}}

Então as equações do movimento são:

⟨XP+PX⟩=⟨XP+PX⟩0+2tm⟨P2⟩⟨X2⟩=⟨X2⟩0+tm⟨XP+PX⟩0+⟨P2⟩t2m2\left\langle XP+PX\right\rangle =\left\langle XP+PX\right\rangle _{0}+\frac{2t}{m}\left\langle P^{2}\right\rangle \qquad\left\langle X^{2}\right\rangle =\left\langle X^{2}\right\rangle _{0}+\frac{t}{m}\left\langle XP+PX\right\rangle _{0}+\left\langle P^{2}\right\rangle \frac{t^{2}}{m^{2}}

c)

A encontrar:

Equações:

Lembrando então que o devio padrão obedece:

(ΔX)2=⟨X2⟩−⟨X⟩2=⟨X2⟩0+tm⟨XP+PX⟩0+⟨P2⟩t2m2−(⟨X⟩0+⟨P⟩0mt)(⟨X⟩0+⟨P⟩0mt)=⟨X2⟩0+tm⟨XP+PX⟩0+⟨P2⟩t2m2−(⟨X⟩02+2⟨X⟩0⟨P⟩0mt+⟨P⟩02m2t2)=(⟨P2⟩0−⟨P⟩02)t2m2+(⟨X2⟩0−⟨X⟩02)+tm⟨XP+PX⟩0−2⟨X⟩0⟨P⟩0mt=(ΔP)02t2m2+(ΔX)02+[tm⟨XP+PX⟩0−2tm⟨X⟩0⟨P⟩0]=(ΔP)02t2m2+(ΔX)02+tm[⟨XP+PX⟩0−2⟨X⟩0⟨P⟩0]\begin{align*} \left(\Delta X\right)^{2} & =\left\langle X^{2}\right\rangle -\left\langle X\right\rangle ^{2}\\ & =\left\langle X^{2}\right\rangle _{0}+\frac{t}{m}\left\langle XP+PX\right\rangle _{0}+\left\langle P^{2}\right\rangle \frac{t^{2}}{m^{2}}-\left(\left\langle X\right\rangle _{0}+\frac{\left\langle P\right\rangle _{0}}{m}t\right)\left(\left\langle X\right\rangle _{0}+\frac{\left\langle P\right\rangle _{0}}{m}t\right)\\ & =\left\langle X^{2}\right\rangle _{0}+\frac{t}{m}\left\langle XP+PX\right\rangle _{0}+\left\langle P^{2}\right\rangle \frac{t^{2}}{m^{2}}-\left(\left\langle X\right\rangle ^{2}_{0}+2\frac{\left\langle X\right\rangle _{0}\left\langle P\right\rangle _{0}}{m}t+\frac{\left\langle P\right\rangle ^{2}_{0}}{m^{2}}t^{2}\right)\\ & =\left(\left\langle P^{2}\right\rangle _{0}-\left\langle P\right\rangle ^{2}_{0}\right)\frac{t^{2}}{m^{2}}+\left(\left\langle X^{2}\right\rangle _{0}-\left\langle X\right\rangle ^{2}_{0}\right)+\frac{t}{m}\left\langle XP+PX\right\rangle _{0}-2\frac{\left\langle X\right\rangle _{0}\left\langle P\right\rangle _{0}}{m}t\\ & =\left(\Delta P\right)^{2}_{0}\frac{t^{2}}{m^{2}}+\left(\Delta X\right)^{2}_{0}+\left[\frac{t}{m}\left\langle XP+PX\right\rangle _{0}-\frac{2t}{m}\left\langle X\right\rangle _{0}\left\langle P\right\rangle _{0}\right]\\ & =\left(\Delta P\right)^{2}_{0}\frac{t^{2}}{m^{2}}+\left(\Delta X\right)^{2}_{0}+\frac{t}{m}\left[\left\langle XP+PX\right\rangle _{0}-2\left\langle X\right\rangle _{0}\left\langle P\right\rangle _{0}\right] \end{align*}

Temos que ⟨P2⟩0=⟨P2⟩=constante\left\langle P^{2}\right\rangle _{0}=\left\langle P^{2}\right\rangle =\text{constante} pois:

d⟨P2⟩dt=−iℏ⟨[P2,H]⟩=−i2mℏ⟨[P2,P2]⟩=0\begin{align*} \frac{d\left\langle P^{2}\right\rangle }{dt}= & -\frac{i}{\hbar}\left\langle \left[P^{2},H\right]\right\rangle \\ = & -\frac{i}{2m\hbar}\left\langle \left[P^{2},P^{2}\right]\right\rangle \\ = & 0 \end{align*}

Para o caso de uma partícula livre como estsamos tratando, existe um tt em que invariavelmente temos ⟨XP+PX⟩0−12⟨X⟩0⟨P⟩0=0\left\langle XP+PX\right\rangle _{0}-\frac{1}{2}\left\langle X\right\rangle _{0}\left\langle P\right\rangle _{0}=0Wheeler (1998), portanto podemos escolhê-lo como a origem temporal..

Problem 3

In a one-dimensional problem, consider a particle with the Hamiltonian

H=P22m+V(X)H=\frac{P^{2}}{2m}+V\left(X\right)

where V(X)=λXnV\left(X\right)=\lambda X^{n}.

a) Calculate the commutator [H,XP]\left[H,XP\right]. If there exists one or several stationary states ∣φ⟩\left|\varphi\right\rangle in the potential VV , show that the mean values ⟨T⟩\left\langle T\right\rangle and ⟨V⟩\left\langle V\right\rangle of the kinetic and potential energies in these states satisfy the relation: 2⟨T⟩=n⟨V⟩2\left\langle T\right\rangle =n\left\langle V\right\rangle.

b) In a three-dimensional problem, H is written:

H=P22m+V(R)H=\frac{P^{2}}{2m}+V\left(R\right)

Calculate the commutator [H,R⋅P]\left[H,R\cdot P\right]. Assume that V(R)V\left(R\right) is a homogeneous function of nnth order in the variables XX, YY , and ZZ. What relation necessarily exists between the mean kinetic energy and the mean potential energy of the particle in a stationary state?

and satisfies Euler’s identity:

x∂V∂x+y∂V∂y+z∂V∂z=nV(x,y,z)x\frac{\partial V}{\partial x}+y\frac{\partial V}{\partial y}+z\frac{\partial V}{\partial z}=nV\left(x,y,z\right)

Dados do enunciado:

a)

A encontrar:

Equações:

Calculando o comutador:

[H,XP]=HXP−XPH=(P22m+λXn)XP−XP(P22m+λXn)=P2XP2m+λXnXP−XPP22m+λXPXn=[P2XP2m−XP2P2m]+[λXnXP−λXXnP]+[XP2P2m−XPP22m]+[λXXnP−λXPXn]=[P2X−XP2]P2m+X2m[P2P−PP2]+λ[XnX−XXn]P+λX[XnP−PXn]=[P2,X]P2m+0+0+λX[Xn,P]=−([X,P2]P2m+λX[P,Xn])=−(iℏ∂P2∂PP2m−λXiℏ∂Xn∂X)=−(2iℏP22m−λniℏXn)=−iℏ(P2m−nλXn)\begin{align*} \left[H,XP\right] & =HXP-XPH\\ & =\left(\frac{P^{2}}{2m}+\lambda X^{n}\right)XP-XP\left(\frac{P^{2}}{2m}+\lambda X^{n}\right)\\ & =\frac{P^{2}XP}{2m}+\lambda X^{n}XP-XP\frac{P^{2}}{2m}+\lambda XPX^{n}\\ & =\left[\frac{P^{2}XP}{2m}-\frac{XP^{2}P}{2m}\right]+\left[\lambda X^{n}XP-\lambda XX^{n}P\right]+\left[\frac{XP^{2}P}{2m}-XP\frac{P^{2}}{2m}\right]+\left[\lambda XX^{n}P-\lambda XPX^{n}\right]\\ & =\left[P^{2}X-XP^{2}\right]\frac{P}{2m}+\frac{X}{2m}\left[P^{2}P-PP^{2}\right]+\lambda\left[X^{n}X-XX^{n}\right]P+\lambda X\left[X^{n}P-PX^{n}\right]\\ & =\left[P^{2},X\right]\frac{P}{2m}+0+0+\lambda X\left[X^{n},P\right]\\ & =-\left(\left[X,P^{2}\right]\frac{P}{2m}+\lambda X\left[P,X^{n}\right]\right)\\ & =-\left(i\hbar\frac{\partial P^{2}}{\partial P}\frac{P}{2m}-\lambda Xi\hbar\frac{\partial X^{n}}{\partial X}\right)\\ & =-\left(2i\hbar\frac{P^{2}}{2m}-\lambda ni\hbar X^{n}\right)\\ & =-i\hbar\left(\frac{P^{2}}{m}-n\lambda X^{n}\right) \end{align*}

Então o comutador é:

[H,XP]=−iℏ(P2m−nλXn)\left[H,XP\right]=-i\hbar\left(\frac{P^{2}}{m}-n\lambda X^{n}\right)

E uma vez que os operadores não dependem explicitamente do tempo:

d⟨XP⟩dt=−iℏ⟨[XP,H]⟩+⟨∂XP∂t⟩=iℏ⟨[H,XP]⟩+0=iℏ(−iℏ)⟨(P2m−nλXn)⟩=⟨P2m⟩−n⟨λXn⟩=2⟨T⟩−n⟨V⟩\begin{align*} \frac{d\left\langle XP\right\rangle }{dt} & =-\frac{i}{\hbar}\left\langle \left[XP,H\right]\right\rangle +\left\langle \frac{\partial XP}{\partial t}\right\rangle \\ & =\frac{i}{\hbar}\left\langle \left[H,XP\right]\right\rangle +0\\ & =\frac{i}{\hbar}\left(-i\hbar\right)\left\langle \left(\frac{P^{2}}{m}-n\lambda X^{n}\right)\right\rangle \\ & =\left\langle \frac{P^{2}}{m}\right\rangle -n\left\langle \lambda X^{n}\right\rangle \\ & =2\left\langle T\right\rangle -n\left\langle V\right\rangle \end{align*}

E uma vez que estamos lidando com um estado estacionário, o valor esperado deve ser constante (também pode ser demonstrado explicitamente que d⟨XP⟩dt=0\frac{d\left\langle XP\right\rangle }{dt}=0Pace (2005)), logo:

0=2⟨T⟩−n⟨V⟩2⟨T⟩=n⟨V⟩\begin{align*} 0 & =2\left\langle T\right\rangle -n\left\langle V\right\rangle \\ 2\left\langle T\right\rangle & =n\left\langle V\right\rangle \end{align*}

b)

Dados do enunciado:

A encontrar:

Equações:

Fazendo um cálculo análogo ao caso anterior, temos:

[H,R⋅P]=H(R⋅P)−(R⋅P)H=∑i=13[HXiPi−XiPiH]=∑i=13[H,XiPi]\begin{align*} \left[H,\boldsymbol{R}\cdot\boldsymbol{P}\right] & =H\left(\boldsymbol{R}\cdot\boldsymbol{P}\right)-\left(\boldsymbol{R}\cdot\boldsymbol{P}\right)H\\ & =\sum^{3}_{i=1}\left[HX_{i}P_{i}-X_{i}P_{i}H\right]\\ & =\sum^{3}_{i=1}\left[H,X_{i}P_{i}\right] \end{align*}

Então análogo ao caso anterior temos:

[H,XiPi]=HXiPi−XiPiH=(P22m+V(r))XiPi−XiPi(P22m+V(r))=P2XiPi2m+VXiPi−XiPiP22m+XiPiV=[P2XiPi2m−XiP2Pi2m]+[VXiPi−XiVPi]+[XiP2Pi2m−XiPiP22m]+[XiVPi−XiPiV]=[P2Xi−XiP2]Pi2m+Xi2m[P2Pi−PiP2]+[VXi−XiV]Pi+Xi[VPi−PiV]=[P2,Xi]Pi2m+Xi2m[P2,Pi]+[V,Xi]Pi+Xi[V,Pi]=−([Xi,P2]Pi2m+Xi2m[Pi,P2]+[Xi,V]Pi+Xi[Pi,V])=−(iℏ∂P2∂PiPi2m−Xi2miℏ∂P2∂Xi+iℏ∂V2∂PiPi−Xiiℏ∂V∂Xi)=−(2iℏPi22m−Xiiℏ∂V∂Xi)\begin{align*} \left[H,X_{i}P_{i}\right] & =HX_{i}P_{i}-X_{i}P_{i}H\\ & =\left(\frac{\boldsymbol{P}^{2}}{2m}+V\left(\boldsymbol{r}\right)\right)X_{i}P_{i}-X_{i}P_{i}\left(\frac{\boldsymbol{P}^{2}}{2m}+V\left(\boldsymbol{r}\right)\right)\\ & =\frac{\boldsymbol{P}^{2}X_{i}P_{i}}{2m}+VX_{i}P_{i}-X_{i}P_{i}\frac{\boldsymbol{P}^{2}}{2m}+X_{i}P_{i}V\\ & =\left[\frac{\boldsymbol{P}^{2}X_{i}P_{i}}{2m}-\frac{X_{i}\boldsymbol{P}^{2}P_{i}}{2m}\right]+\left[VX_{i}P_{i}-X_{i}VP_{i}\right]+\left[\frac{X_{i}\boldsymbol{P}^{2}P_{i}}{2m}-X_{i}P_{i}\frac{\boldsymbol{P}^{2}}{2m}\right]+\left[X_{i}VP_{i}-X_{i}P_{i}V\right]\\ & =\left[\boldsymbol{P}^{2}X_{i}-X_{i}\boldsymbol{P}^{2}\right]\frac{P_{i}}{2m}+\frac{X_{i}}{2m}\left[\boldsymbol{P}^{2}P_{i}-P_{i}\boldsymbol{P}^{2}\right]+\left[VX_{i}-X_{i}V\right]P_{i}+X_{i}\left[VP_{i}-P_{i}V\right]\\ & =\left[\boldsymbol{P}^{2},X_{i}\right]\frac{P_{i}}{2m}+\frac{X_{i}}{2m}\left[\boldsymbol{P}^{2},P_{i}\right]+\left[V,X_{i}\right]P_{i}+X_{i}\left[V,P_{i}\right]\\ & =-\left(\left[X_{i},\boldsymbol{P}^{2}\right]\frac{P_{i}}{2m}+\frac{X_{i}}{2m}\left[P_{i},\boldsymbol{P}^{2}\right]+\left[X_{i},V\right]P_{i}+X_{i}\left[P_{i},V\right]\right)\\ & =-\left(i\hbar\frac{\partial\boldsymbol{P}^{2}}{\partial P_{i}}\frac{P_{i}}{2m}-\frac{X_{i}}{2m}i\hbar\frac{\partial\boldsymbol{P}^{2}}{\partial X_{i}}+i\hbar\frac{\partial V^{2}}{\partial P_{i}}P_{i}-X_{i}i\hbar\frac{\partial V}{\partial X_{i}}\right)\\ & =-\left(2i\hbar\frac{P^{2}_{i}}{2m}-X_{i}i\hbar\frac{\partial V}{\partial X_{i}}\right) \end{align*}

Então:

[H,R⋅P]=−∑i=13(2iℏPi22m−Xiiℏ∂V∂Xi)=−iℏ(P2m−∑i=13Xi∂V∂Xi)=−iℏ(P2m−nV(r))\begin{align*} \left[H,\boldsymbol{R}\cdot\boldsymbol{P}\right] & =-\sum^{3}_{i=1}\left(2i\hbar\frac{P^{2}_{i}}{2m}-X_{i}i\hbar\frac{\partial V}{\partial X_{i}}\right)\\ & =-i\hbar\left(\frac{\boldsymbol{P}^{2}}{m}-\sum^{3}_{i=1}X_{i}\frac{\partial V}{\partial X_{i}}\right)\\ & =-i\hbar\left(\frac{\boldsymbol{P}^{2}}{m}-nV\left(\boldsymbol{r}\right)\right) \end{align*}

Ficamos então com o seguinte resultado para o comutador:

[H,R⋅P]=−iℏ(P2m−nV(r))\left[H,\boldsymbol{R}\cdot\boldsymbol{P}\right]=-i\hbar\left(\frac{\boldsymbol{P}^{2}}{m}-nV\left(\boldsymbol{r}\right)\right)

Resultado análogo ao que obtemos no cenário anterior. Então para obter as relações entre as energias, ficamos com:

d⟨R⋅P⟩dt=−iℏ⟨[R⋅P,H]⟩+⟨∂R⋅P∂t⟩=iℏ⟨[H,R⋅P]⟩+0=iℏ(−iℏ)⟨(P2m−nV(r))⟩=⟨P2m⟩−n⟨V(r)⟩=2⟨T⟩−n⟨V(r)⟩\begin{align*} \frac{d\left\langle \boldsymbol{R}\cdot\boldsymbol{P}\right\rangle }{dt} & =-\frac{i}{\hbar}\left\langle \left[\boldsymbol{R}\cdot\boldsymbol{P},H\right]\right\rangle +\left\langle \frac{\partial\boldsymbol{R}\cdot\boldsymbol{P}}{\partial t}\right\rangle \\ & =\frac{i}{\hbar}\left\langle \left[H,\boldsymbol{R}\cdot\boldsymbol{P}\right]\right\rangle +0\\ & =\frac{i}{\hbar}\left(-i\hbar\right)\left\langle \left(\frac{\boldsymbol{P}^{2}}{m}-nV\left(\boldsymbol{r}\right)\right)\right\rangle \\ & =\left\langle \frac{\boldsymbol{P}^{2}}{m}\right\rangle -n\left\langle V\left(\boldsymbol{r}\right)\right\rangle \\ & =2\left\langle T\right\rangle -n\left\langle V\left(\boldsymbol{r}\right)\right\rangle \end{align*}

De modo análogo então ao caso anterior, obtemos que:

2⟨T⟩=n⟨V(r)⟩2\left\langle T\right\rangle =n\left\langle V\left(\boldsymbol{r}\right)\right\rangle

Podemos ainda observar que usando a propriedade de função homogênea, obtemos o teorema virial:

2⟨T⟩=⟨x∂V∂x+y∂V∂y+z∂V∂z⟩2\left\langle T\right\rangle =\left\langle x\frac{\partial V}{\partial x}+y\frac{\partial V}{\partial y}+z\frac{\partial V}{\partial z}\right\rangle

Ou:

2⟨T⟩=⟨r⋅∇V⟩2\left\langle T\right\rangle =\left\langle \boldsymbol{r}\cdot\nabla V\right\rangle
References
  1. Lima, P. C. de. (2013). Equações Diferenciais Parciais I. http://150.164.25.15/ lima/apostilas/EDP1-aulas-22-8-13.pdf
  2. Wheeler, N. (1998). Ehrenfest’s Theorem. https://www.reed.edu/physics/faculty/wheeler/documents/Quantum%20Mechanics/Miscellaneous%20Essays/Ehrenfest%27s%20Theorem.pdf
  3. Pace, D. (2005). Problem Set 5 Solutions. http://lief.if.ufrgs.br/ ambusher/griffiths/sol5-Quantum_Mechanics_-_Griffiths_.pdf