From 2b679ac7668e35ae86133fa0db00fec2af053979 Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Fri, 5 Apr 2019 11:52:27 +0200 Subject: [PATCH] updated tab for C2 --- Manuscript/G2-srDFT.tex | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index 8458ca5..5628d36 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -702,10 +702,10 @@ Also, the values obtained with the largest basis sets tends to converge toward a %\ce{C2} & (FC)FCIQMC & 130.0(1) & 139.9(3) & 143.3(2) & & 144.9 \\ % & (FC)FCIQMC+F12 & 142.3 & 145.3 & & & \\ \hline - \ce{C2} & ex (FC)FCI & 132.0 & 140.3 & 143.6 & 144.3 & 144.9 \\ + \ce{C2} & ex (FC)FCI & 132.0 & 140.3 & 143.6 & 144.7 & 145.7 \\ \hline - & ex (FC)FCI+LDA-val & 143.0 & 145.4 & 146.4 & 146.0 & \\ - & ex (FC)FCI+PBE-val & 147.4 & 146.1 & 146.4 & 145.9 & \\ + & ex (FC)FCI+LDA-val & 141.3 & 145.1 & 146.4 & 146.3 & \\ + & ex (FC)FCI+PBE-val & 145.7 & 145.7 & 146.3 & 146.2 & \\ \hline \hline & (FC)CCSD(T) & 129.2 & 139.1 & 143.0 & 144.2 & 145.4 \\