Manu: saving work

This commit is contained in:
Emmanuel Fromager 2020-02-11 09:22:32 +01:00
parent 3014b506be
commit 1184d379c3

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@ -331,6 +331,16 @@ c}\left[n\right]}{\partial w_K}
\right|
_{n=n_{\opGamma{\bw}}}.
\eeq
For implementation purposes, we will use in the rest of this work
(one-electron reduced) density matrices rather than Slater determinants
as basic variables. If we denote ${\bmg}^{(K)}$
\beq
\Gamma_{\mu\nu}^{(K)}=\sum_{p\in (K)}c_{\mu p}c_{\nu p}
\eeq
where the summation runs over the spin-orbitals that are occupied in
$\Phi^{(K)}$.
%%%%%%%%%%%%%%%
%\subsection{Hybrid GOK-DFT}
%%%%%%%%%%%%%%%