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fix table 3

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This commit is contained in:
Pierre-Francois Loos 2019-12-09 13:18:30 +01:00
parent 269c19622f
commit f74f26d137
1 changed files with 6 additions and 6 deletions
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12
Manuscript/FarDFT.tex
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@ -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}