From ffdd3d89b919a5ebb8dd96071c67e600a5850a03 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 8 Apr 2020 22:34:15 +0200 Subject: [PATCH] H2 stretch MOM --- Manuscript/FarDFT.tex | 10 +++++++--- 1 file changed, 7 insertions(+), 3 deletions(-) diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index e9c617f..9e69b65 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -675,7 +675,7 @@ Excitation energies (in eV) associated with the lowest double excitation of \ce{ & & aug-cc-pVTZ & 28.90 & 27.16 & 27.64 & 27.34 \\ & & aug-cc-pVQZ & 28.89 & 27.16 & 27.65 & 27.34 \\ \\ - B88 & LYP & aug-mcc-pV8Z\fnm[1] & & & & 28.42\fnm[2] \\ + B & LYP & aug-mcc-pV8Z\fnm[1] & & & & 28.42\fnm[2] \\ B3 & LYP & aug-mcc-pV8Z\fnm[1] & & & & 27.77\fnm[2] \\ HF & LYP & aug-mcc-pV8Z\fnm[1] & & & & 29.18\fnm[2] \\ HF & & aug-mcc-pV8Z\fnm[1] & & & & 28.65\fnm[2] \\ @@ -701,8 +701,8 @@ Excitation energies (in eV) associated with the lowest double excitation of \ce{ \cline{1-2} \cline{4-5} exchange & correlation & Basis & $\ew{} = 0$ & $\ew{} = 1/2$ & LIM & MOM \\ \hline - HF & & aug-cc-pVDZ & 19.08 & 6.58 & 12.92 & \\ - & & aug-cc-pVTZ & 19.09 & 6.59 & 12.92 & \\ + HF & & aug-cc-pVDZ & 19.08 & 6.58 & 12.92 & 6.52 \\ + & & aug-cc-pVTZ & 19.09 & 6.59 & 12.92 & 6.52 \\ \\ S & & aug-cc-pVDZ & 5.31 & 5.60 & 5.46 & 5.56 \\ & & aug-cc-pVTZ & 5.31 & 5.60 & 5.46 & 5.56 \\ @@ -723,6 +723,10 @@ Excitation energies (in eV) associated with the lowest double excitation of \ce{ GIC-S & eVWN5 & aug-cc-pVDZ & 10.86 & 5.77 & 8.64 & 5.72 \\ & & aug-cc-pVTZ & 10.86 & 5.77 & 8.64 & 5.72 \\ \\ + B & LYP & aug-cc-pVTZ & & & & 5.28 \\ + B3 & LYP & aug-cc-pVTZ & & & & 5.55 \\ + HF & LYP & aug-cc-pVTZ & & & & 6.68 \\ + \\ % HF & FCI & aug-cc-pVDZ & & & & 8.78 \\ % HF & FCI & aug-cc-pVTZ & & & & 8.71 \\ % HF & FCI & aug-cc-pVQZ & & & & 8.70 \\