I have a doubt concerning the assumptions made in deriving Eq. 10.9 in Ashcroft and Mermin's Solid State Physics text. We have two entities in the equation: $\psi_m (\textbf{r})$ and $\psi(\textbf{r})$ referring to a localized and bloch wavefunction, respectively. The first equality amounts to interchanging the atomic Hamiltonian operator on the bloch and atomic wavefuctions. The relevant equality is reproduced below: $$ \int \psi_m^* (\textbf{r}) H_{at} \psi (\textbf{r})d\textbf{r} = \int(H_{at}\psi_m(\textbf{r}))^*\psi(\textbf{r})d\textbf{r}. \tag{10.9} $$ Presumably the matrix elements of the Hamiltonian operator is equal when $\psi_m (\textbf{r})$ and $\psi(\textbf{r})$ are interchanged. But how can it be justified. I am new to this forum so I apologize if this question is too naive.
1 Answer
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The Hamiltonian operator is Hermitian, so $H_{at} = H_{at}^{\dagger}$. So looking at the relevant part inside the integral, we have:
$$(RHS) \quad (H_{at}\psi_m(\vec{r}))^{*} = \psi_m^*(\vec{r})H_{at}^{\dagger} = \psi_m^*(\vec{r})H_{at} \quad (LHS)$$
The first equal sign is because if you think in terms of matrices, $(AB)^\dagger=B^\dagger A^\dagger$.
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$\begingroup$ But how can treat $H_{at}$ and $\psi_m$ on the same footing? The former is an operator whereas the latter is a function The matrix identity you have mentioned will only be relevant for the operator. $\endgroup$– SoumdttCommented Jan 25, 2019 at 8:40
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$\begingroup$ The $\psi_m$ is a wavefunction here, but if you treat $H_{at}$ as a matrix, you can treat $\psi_m$ as a column vector. Mathematically, the set of wavefunctions is a vector space (hence "column vectors"), the set of operators (like the Hamiltonian) is the set of operators on the space and the conjugate $\psi_m^*$ is really in the dual space and not actually the same type of function as $\psi_m$ (i.e. it would be a "row vector"). The bra-ket notation makes it much clearer, but the same underlying structure holds using wavefunctions. $\endgroup$– user194422Commented Jan 25, 2019 at 10:25