From 05fc57dc3ba4b9474d8bd5b19600f124126c5f1d Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 11 Mar 2020 23:28:52 +0100 Subject: [PATCH] done with conclusion --- Manuscript/eDFT.tex | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/Manuscript/eDFT.tex b/Manuscript/eDFT.tex index 43ed967..b6c832f 100644 --- a/Manuscript/eDFT.tex +++ b/Manuscript/eDFT.tex @@ -1568,9 +1568,9 @@ progress in this direction. Unlike any standard functional, eLDA incorporates derivative discontinuities through its weight dependence. The latter originates from the finite uniform electron gas on which eLDA is -(partially) based. The KS-eLDA scheme, where exact \manu{individual -exchange energies are} -combined with \manu{the eLDA correlation functional}, delivers accurate excitation energies for both +(partially) based. The KS-eLDA scheme, where exact individual +exchange energies are +combined with the eLDA correlation functional , delivers accurate excitation energies for both single and double excitations, especially when an equiensemble is used. In the latter case, the same weights are assigned to each state belonging to the ensemble. The improvement on the excitation energies brought by the KS-eLDA scheme is particularly impressive in the strong correlation regime where usual methods, such as TDLDA, fail.