From 93e243a3f9bc75869de035cf88c8d348df62da98 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sun, 26 Apr 2020 13:21:46 +0200 Subject: [PATCH] easy corrections in Results --- Manuscript/FarDFT.tex | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index ed6b514..2911a0a 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -1085,7 +1085,7 @@ Excitation energies (in hartree) associated with the lowest double excitation of \label{sec:ccl} In the present article, we have discussed the construction of first-rung (\ie, local) weight-dependent exchange-correlation density-functional approximations for two-electron systems (\ce{He} and \ce{H2}) specifically designed for the computation of double excitations within GOK-DFT, a time-\textit{independent} formalism thanks to which one can extract excitation energies via the derivative of the ensemble energy with respect to the weight of each excited state. -We have found that the construction of a system-specific, weight-dependent local exchange functional can significantly reduce the curvature of the ensemble energy (by removing most of the ghost-interaction error). +\titou{In the spirit of optimally-tuned range-separated hybrid functionals,} we have found that the construction of a system-specific, weight-dependent local exchange functional can significantly reduce the curvature of the ensemble energy (by removing most of the curvature of the ensemble energy). Although the weight-dependent correlation functional developed in this paper (eVWN5) performs systematically better than their weight-independent counterpart (VWN5), the improvement remains rather small. To better understand the reasons behind this, it would be particularly interesting to investigate the influence of the self-consistent procedure, \ie, the variation in excitation energy when the \textit{exact} ensemble density (built with the exact individual densities) is used instead