From 7d9d9f86cf2596b339b8c8556caed5360a060463 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Fri, 12 Apr 2019 14:12:02 +0200 Subject: [PATCH] RSDFT --- Manuscript/G2-srDFT.tex | 21 +++++++++++++++++---- 1 file changed, 17 insertions(+), 4 deletions(-) diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index 0e6e2d9..6859815 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -310,16 +310,29 @@ Once defined, $\rsmu{\Bas}{}(\br{})$ can be used in RS-DFT functionals to approx As in Ref.~\onlinecite{GinPraFerAssSavTou-JCP-18}, we consider here a specific class of short-range correlation functionals known as ECMD whose general definition reads \cite{TouGorSav-TCA-05} \begin{multline} \label{eq:ec_md_mu} - \bE{}{\sr}[\n{}{}(\br{}),\rsmu{}{}] = \min_{\wf{}{} \to \n{}{}(\br{})} \mel*{\Psi}{\hT + \hWee{}}{\wf{}{}} + \bE{}{\sr}[\n{}{}(\br{}),\rsmu{}{}] + = \min_{\wf{}{} \to \n{}{}(\br{})} \mel*{\Psi}{\hT + \hWee{}}{\wf{}{}} \\ - - \mel*{\wf{}{\rsmu{}{}}[\n{}{}(\br{})]}{\hT + \hWee{}}{\wf{}{\rsmu{}{}}[\n{}{}(\br{})]}, + - \mel*{\wf{}{\rsmu{}{}}}{\hT + \hWee{}}{\wf{}{\rsmu{}{}}}, \end{multline} -where $\wf{}{\rsmu{}{}}[\n{}{}(\br{})]$ is defined by the constrained minimization +where $\wf{}{\rsmu{}{}}$ is defined by the constrained minimization \begin{equation} \label{eq:argmin} - \wf{}{\rsmu{}{}}[\n{}{}(\br{})] = \arg \min_{\wf{}{} \to \n{}{}(\br{})} \mel*{\wf{}{}}{\hT + \hWee{\lr,\rsmu{}{}}}{\wf{}{}}, + \wf{}{\rsmu{}{}} = \arg \min_{\wf{}{} \to \n{}{}(\br{})} \mel*{\wf{}{}}{\hT + \hWee{\lr,\rsmu{}{}}}{\wf{}{}}, \end{equation} with $\hWee{\lr,\rsmu{}{}} = \sum_{i