From f74f26d137f961620eb8806248749b30998a9fa8 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Mon, 9 Dec 2019 13:18:30 +0100 Subject: [PATCH] fix table 3 --- Manuscript/FarDFT.tex | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/Manuscript/FarDFT.tex b/Manuscript/FarDFT.tex index fe787c9..38c8229 100644 --- a/Manuscript/FarDFT.tex +++ b/Manuscript/FarDFT.tex @@ -492,13 +492,13 @@ Total energies (in hartree) and excitation energies (in \titou{hartree}) of \ce{ } \begin{ruledtabular} \begin{tabular}{lddddddd} - Method & \tabc{$\E{}{(0)}$} & \tabc{$\E{}{(1)}$} & \tabc{$\Ex{}{(1)} = \E{}{(1)} - \E{}{(0)}$} - & \tabc{$\tE{}{\ew{} = 0}$} & \tabc{$\tEx{}{\ew{} = 0} = \left. \pdv{\tE{}{\ew{}}}{\ew{}} \right|_{\ew{} = 0}$} - & \tabc{$\tE{}{\ew{} = 1/2}$} & \tabc{$\tEx{}{\ew{} = 1/2} = \left. \pdv{\tE{}{\ew{}}}{\ew{}} \right|_{\ew{} = 1/2}$} \\ + Method & \tabc{$\E{}{(0)}$} & \tabc{$\E{}{(1)}$} & \tabc{$\E{}{(1)} - \E{}{(0)}$} + & \tabc{$\tE{}{\ew{} = 0}$} & \tabc{$\left. \pdv{\tE{}{\ew{}}}{\ew{}} \right|_{\ew{} = 0}$} + & \tabc{$\tE{}{\ew{} = 1/2}$} & \tabc{$\left. \pdv{\tE{}{\ew{}}}{\ew{}} \right|_{\ew{} = 1/2}$} \\ \hline - HF & -1.11671 & 0.460576 & 1.57729 & -1.11671 & -0.0981563 & -0.0981563 & 1.57729 \\ - LDA & -1.12120 & 0.379745 & 1.50095 & -1.12120 & -0.370725 & -0.370725 & 1.50565 \\ - eLDA & -1.12120 & 0.175337 & 1.29654 & -1.12120 & -0.462421 & -0.462421 & 1.30839 \\ + HF & -1.11671 & 0.460576 & 1.57729 & -1.11671 & 2.49694 & -0.0981563 & 1.57729 \\ + LDA & -1.12120 & 0.379745 & 1.50095 & -1.12120 & 1.49536 & -0.370725 & 1.50565 \\ + eLDA & -1.12120 & 0.175337 & 1.29654 & -1.12120 & 1.31995 & -0.462421 & 1.30839 \\ CID & -1.13728 & 0.481138 & 1.61841 & \\ Exact\fnm[1] & & & & \\ \end{tabular}