From 4ed4c6f13029fab70e3869b7af3a5379ef7c3724 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Mon, 4 May 2020 19:18:39 +0200 Subject: [PATCH] updated He results --- Manuscript/FarDFT.tex | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index b33bf71..49c6f1f 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -1054,15 +1054,15 @@ Excitation energies (in hartree) associated with the lowest double excitation of \cline{1-2} \cline{3-4} \tabc{x} & \tabc{c} & $\ew{} = 0$ & $\ew{} = 1/3$ & LIM & MOM \\ \hline - HF & & 1.874 & 2.212* & 2.080 & 2.142 \\ - HF & VWN5 & 1.988 & 2.260* & 2.153 & 2.193 \\ - HF & eVWN5 & 2.000* & 2.264* & 2.156 & 2.196* \\ - S & & 1.062 & 2.056* & 1.547 & 2.030 \\ - S & VWN5 & 1.163 & 2.104* & 1.612 & 2.079 \\ - S & eVWN5 & 1.174* & 2.108* & 1.615 & 2.083* \\ - CC-S & & 1.996 & 2.044* & 1.988 & 2.030 \\ - CC-S & VWN5 & 2.107 & 2.097* & 2.060 & 2.079 \\ - CC-S & eVWN5 & 2.118* & 2.100* & 2.063 & 2.083* \\ + HF & & 1.874 & 2.212 & 2.080 & 2.142 \\ + HF & VWN5 & 1.988 & 2.260 & 2.153 & 2.193 \\ + HF & eVWN5 & 2.000 & 2.265 & 2.156 & 2.196 \\ + S & & 1.062 & 2.056 & 1.547 & 2.030 \\ + S & VWN5 & 1.163 & 2.104 & 1.612 & 2.079 \\ + S & eVWN5 & 1.174 & 2.109 & 1.615 & 2.083 \\ + CC-S & & 1.996 & 2.264 & 1.988 & 2.030 \\ + CC-S & VWN5 & 2.107 & 2.318 & 2.060 & 2.079 \\ + CC-S & eVWN5 & 2.108 & 2.323 & 2.063 & 2.083 \\ \hline B & LYP & & & & 2.147 \\ B3 & LYP & & & & 2.150 \\