From cad03cd39c70a4036dd804afc4219cc43eb236d1 Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Wed, 24 Apr 2019 10:10:04 +0200 Subject: [PATCH] final poush --- Manuscript/G2-srDFT.tex | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index c9e4e36..5f7aa6a 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -378,7 +378,7 @@ with and the corresponding FC range-separation function $\rsmuFC{}{\Bas}(\br{}) = (\sqrt{\pi}/2) \WFC{}{\Bas}(\br{},\br{})$. It is noteworthy that, within the present definition, $\WFC{}{\Bas}(\br{1},\br{2})$ still tends to the regular Coulomb interaction as $\Bas \to \infty$. -Defining $\nFC{\modZ}{\Bas}$ as the FC (i.e.~valence-only) one-electron density obtained with a method $\modZ$ in $\Bas$, the FC contribution of the complementary functional is then approximated by $\bE{\LDA}{\Bas}[\nFC{\modZ}{\Bas},\rsmuFC{}{\Bas}]$ or $\bE{\PBE}{\Bas}[\nFC{\modZ}{\Bas},\rsmuFC{}{\Bas}]$. +Defining $\nFC{\modZ}{\Bas}$ \manu{and $\tilde{s}_{\modZ}^{\Bas}$} as the FC (i.e.~valence-only) one-electron density \manu{and reduced gradient, respectively,} obtained with a method $\modZ$ in $\Bas$, the FC contribution of the complementary functional is then approximated by $\bE{\LDA}{\Bas}[\nFC{\modZ}{\Bas},\rsmuFC{}{\Bas}]$ or $\bE{\PBE}{\Bas}[\nFC{\modZ}{\Bas},\manu{\tilde{s}_{\modZ}^{\Bas}},\rsmuFC{}{\Bas}]$. %================================================================= %\subsection{Computational considerations}