From a56c43cc92c0d9f5564030f9c808a4e675902322 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Sat, 6 Apr 2019 00:21:18 +0200 Subject: [PATCH] commit b4 erase table --- Manuscript/G2-srDFT.tex | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/Manuscript/G2-srDFT.tex b/Manuscript/G2-srDFT.tex index fc8469e..67ab209 100644 --- a/Manuscript/G2-srDFT.tex +++ b/Manuscript/G2-srDFT.tex @@ -727,7 +727,7 @@ Also, the values obtained with the largest basis sets tends to converge toward a \ce{C2} & exFCI\fnm[1] & 132.0 & 140.3 & 143.6 & 144.7 & 145.7 \\ (cc-pVXZ) & exFCI+LDA\fnm[1] & 141.3 & 145.1 & 146.4 & 146.3 & \\ & exFCI+PBE\fnm[1] & 145.7 & 145.7 & 146.3 & 146.2 & \\ - & CCSD(T)\fnm[1] & 129.2 & 139.1 & 143.0 & 144.2 & 145.4 \\ + & CCSD(T)\fnm[1] & 129.2 & 139.1 & 143.0 & 144.2 & \\ & CCSD(T)+LDA\fnm[1] & 139.1 & 143.7 & 145.9 & 145.9 & \\ & CCSD(T)+PBE\fnm[1] & 142.8 & 144.2 & 145.9 & 145.8 & \\ \\ @@ -742,7 +742,7 @@ Also, the values obtained with the largest basis sets tends to converge toward a \ce{C2} & exFCI\fnm[2] & 131.0 & 141.5 & 145.1 & 146.1 & 147.1 \\ (cc-pCVXZ) & exFCI+LDA\fnm[2] & 141.4 & 146.7 & 147.8 & 147.6 & \\ - %%%%%%%% & ex FCI+LDA-val & 141.8 & 146.6 & 147.7 & 147.6 & \\ + %%%%%%%% & exFCI+LDA-val & 141.8 & 146.6 & 147.7 & 147.6 & \\ & exFCI+PBE\fnm[2] & 145.1 & 147.0 & 147.7 & 147.5 & \\ %%%%%%%% & ex FCI+PBE-val & 145.7 & 147.0 & 147.6 & 147.5 & \\ \\ @@ -796,7 +796,6 @@ Also, the values obtained with the largest basis sets tends to converge toward a & CCSD(T)\fnm[1] & 25.7 & 34.4 & 36.5 & 37.4 & 38.2 \\ & CCSD(T)+LDA\fnm[1] & 29.2 & 36.5 & 37.2 & 38.2 & \\ & CCSD(T)+PBE\fnm[1] & 31.5 & 37.1 & 37.8 & 38.2 & \\ - \end{tabular} \end{ruledtabular} \fnt[1]{Fronzen core calculations. Only valence spinorbitals are taken into account in the basis set correction.}