X-Git-Url: https://hackdaworld.org/gitweb/?p=lectures%2Flatex.git;a=blobdiff_plain;f=physics_compact%2Fsolid.tex;h=0d5b1b2d0d6cdee705b7002bbf76a4b0c74f4e73;hp=3cb0480306e4452a81de06e3b821bc21369dc47e;hb=2006b30651b6a44bd8af1d9f4b1c9a8ac104686a;hpb=5cf9c85d580fb9d18c1f0ab3b6647edcca0b0cf1 diff --git a/physics_compact/solid.tex b/physics_compact/solid.tex index 3cb0480..0d5b1b2 100644 --- a/physics_compact/solid.tex +++ b/physics_compact/solid.tex @@ -2,6 +2,10 @@ \chapter{Atomic structure} +\chapter{Reciprocal lattice} + +Example of primitive cell ... + \chapter{Electronic structure} \section{Noninteracting electrons} @@ -25,14 +29,22 @@ H=T+V+U\text{ ,} where \begin{eqnarray} T & = & \langle\Psi|\sum_{i=1}^N\frac{-\hbar^2}{2m}\nabla_i^2|\Psi\rangle\\ - & = & \sum_{i=1}^N \int d\vec{r} d\vec{r}' \, + & = & \frac{-\hbar^2}{2m} \sum_{i=1}^N \int d\vec{r} d\vec{r}' \, \langle \Psi | \vec{r} \rangle \langle \vec{r} | - \frac{-\hbar^2}{2m}\nabla_i^2 + \nabla_i^2 | \vec{r}' \rangle \langle \vec{r}' | \Psi \rangle\\ + & = & \frac{-\hbar^2}{2m} \sum_{i=1}^N \int d\vec{r} d\vec{r}' \, + \langle \Psi | \vec{r} \rangle \nabla_{\vec{r}_i} + \langle \vec{r} | \vec{r}' \rangle + \nabla_{\vec{r}'_i} \langle \vec{r}' | \Psi \rangle\\ + & = & \frac{-\hbar^2}{2m} \sum_{i=1}^N \int d\vec{r} d\vec{r}' \, + \nabla_{\vec{r}_i} \langle \Psi | \vec{r} \rangle + \delta_{\vec{r}\vec{r}'} + \nabla_{\vec{r}'_i} \langle \vec{r}' | \Psi \rangle\\ & = & \frac{-\hbar^2}{2m} \sum_{i=1}^N \int d\vec{r} \, - \nabla_i \Psi^*(\vec{r}) \nabla_i \Psi(\vec{r}) + \nabla_{\vec{r}_i} \Psi^*(\vec{r}) \nabla_{\vec{r}_i} \Psi(\vec{r}) \text{ ,} \\ -V & = & V(\vec{r})\Psi^*(\vec{r})\Psi(\vec{r})d\vec{r} \text{ ,} \\ +V & = & \int V(\vec{r})\Psi^*(\vec{r})\Psi(\vec{r})d\vec{r} \text{ ,} \\ U & = & \frac{1}{2}\int\frac{1}{\left|\vec{r}-\vec{r}'\right|} \Psi^*(\vec{r})\Psi^*(\vec{r}')\Psi(\vec{r}')\Psi(\vec{r}) d\vec{r}d\vec{r}' @@ -56,7 +68,7 @@ n_0(\vec{r})=\int \Psi_0^*(\vec{r},\vec{r}_2,\vec{r}_3,\ldots,\vec{r}_N) \end{equation} In 1964, Hohenberg and Kohn showed the opposite and far less obvious result \cite{hohenberg64}. -{\begin{theorem} +\begin{theorem}[Hohenberg / Kohn] For a nondegenerate ground state, the ground-state charge density uniquely determines the external potential in which the electrons reside. \end{theorem} @@ -94,6 +106,6 @@ E_1 + E_2 < E_2 + E_1 + \int n(\vec{r}) \left( V_2(\vec{r})-V_1(\vec{r}) \right) d\vec{r} }_{=0} \end{equation} -is revealed, which proofs the Hohenberg Kohn theorem. \qed +is revealed, which proofs the Hohenberg Kohn theorem.% \qed \end{proof}