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Let we have a crystalline solid whose Hamiltonian is given as (equ.1): $$H=\frac{p^2}{2m}+V$$ where $V$ is periodic which means eigenfunctions are Blochstates $\psi_{nk}$ with eigenvalues $E_{nk}$. One can write Schrodinger equation as $H|\psi_{nk}>=E_{nk}|\psi_{nk}>$ or equivalently $H|u_{nk}>=E_{nk}|u_{nk}>$ where $|u_{nk}>$ is cell periodic function and (equ.2) $$H=\frac{(p^2+\hbar k)^2}{2m}+V$$

In this article

Theory of polarization of crystalline solids, R.D. King-Smith and David Vanderbilt, Phys. Rev. B 47, 1651(R), 1993.

authors wrote a equations which I want to understand (equ. 3) $$<\psi_{nk}|p|\psi_{mk}>=\frac{m}{\hbar}<u_{nk}|[\partial_k,H]|u_{mk}>$$ in these equations $H$ is given by equ.2

My attempt:

write right hand side of equ.3 as: $$<\psi_{nk}|p|\psi_{mk}>=\frac{m}{\hbar}<\psi_{nk}|[\partial_k,H]|\psi_{mk}>$$ now $H$ is given by equ.1. Right hand side of above equation is (using $p=\hbar k$) $$=\frac{m}{\hbar}[<\psi_{nk}|\partial_kH|\psi_{mk}>-<\psi_{nk}|H\partial_k|\psi_{mk}>]$$ $$=\frac{m}{\hbar}[\frac{2\hbar}{2m}<\psi_{nk}|p|\psi_{mk}>-<\psi_{nk}|H\partial_k|\psi_{mk}>]$$ $$=<\psi_{nk}|p|\psi_{mk}>-\frac{m}{\hbar}<\psi_{nk}|H\partial_k|\psi_{mk}>$$
First term is exactly what I wanted but how to deal with second term? It should be zero. How?

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    $\begingroup$ Hint: what does the partial derivative act on? $\endgroup$
    – John Donne
    Commented Nov 29, 2017 at 20:15
  • $\begingroup$ It's acting on eigenstate which doesn't change so this derivative will be zero. am I correct? $\endgroup$ Commented Nov 29, 2017 at 20:20
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    $\begingroup$ I'm concerned with the first term on the first line of your derivation $\endgroup$
    – John Donne
    Commented Nov 29, 2017 at 20:24
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    $\begingroup$ No worries! It's easy to forget $\endgroup$
    – John Donne
    Commented Nov 29, 2017 at 20:30
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    $\begingroup$ @BillyKalfus First equation term in my attempt can be written as: $<\psi_{nk}|\partial_k( H |\psi_{nk}>)=<\psi_{nk}|[(\partial_k H)|\psi_{nk}>+H\partial_k|\psi_{nk}>]=2\hbar/2m<\psi_{nk}|p|\psi_{nk}>+<\psi_{nk}|H\partial_k|\psi_{nk}>$ $\endgroup$ Commented Nov 29, 2017 at 21:08

1 Answer 1

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First equation term in my attempt can be written as: $<\psi_{nk}|\partial_k( H |\psi_{nk}>)=<\psi_{nk}|[(\partial_k H)|\psi_{nk}>+H\partial_k|\psi_{nk}>]=2\hbar/2m<\psi_{nk}|p|\psi_{nk}>+<\psi_{nk}|H\partial_k|\psi_{nk}>$

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