From 0de7cca686ece0c855a15ff9b0ca7f2c9bfe2639 Mon Sep 17 00:00:00 2001
From: Pierre-Francois Loos <pierrefrancois.loos@gmail.com>
Date: Sat, 18 May 2019 14:26:09 +0200
Subject: [PATCH] table water

---
 Manuscript/Ex-srDFT.tex | 60 +++++++++++++++++++++++++++++++++++++++++
 1 file changed, 60 insertions(+)

diff --git a/Manuscript/Ex-srDFT.tex b/Manuscript/Ex-srDFT.tex
index cd4d43f..2e5574a 100644
--- a/Manuscript/Ex-srDFT.tex
+++ b/Manuscript/Ex-srDFT.tex
@@ -215,6 +215,66 @@ In the present study, we rely on the recently proposed short-range density-funct
 	\end{squeezetable}
 %%% %%% %%%
 
+
+%%% TABLE 1 %%%
+	\begin{squeezetable}
+	\begin{table*}
+	\caption{
+	Vertical absorption energies $\Ead$ (in eV) of excited states of water for various methods and basis sets.}
+	\begin{ruledtabular}{}
+	\begin{tabular}{llddddddddddddd}
+				&										&				&	\mc{12}{c}{Deviation with respect to TBE}		
+	\\
+	\cline{4-15}
+				&										&				&	\mc{3}{c}{exFCI}	
+																		&	\mc{3}{c}{exFCI+PBEot}	
+																		&	\mc{3}{c}{exFCI+PBE}	
+																		&	\mc{3}{c}{exFCI+LDA}
+	\\
+	\cline{4-6}	\cline{7-9}	\cline{10-12}	\cline{13-15}
+	Molecule	&	Transition							&	\tabc{TBE}	&	\tabc{AVDZ}	&	\tabc{AVTZ}	&	\tabc{AVQZ}	
+																		&	\tabc{AVDZ}	&	\tabc{AVTZ}	&	\tabc{AVQZ}	
+																		&	\tabc{AVDZ}	&	\tabc{AVTZ}	&	\tabc{AVQZ}	
+																		&	\tabc{AVDZ}	&	\tabc{AVTZ}	&	\tabc{AVQZ}	
+	\\
+	\hline
+	Water		&	\tabc{$1\,^{1}A_1 \ra 1\,^{1}B_1$}	&	7.70		&	-0.17	&	-0.07	&		
+																		&	-0.19	&	+0.00	&		
+																		&	-0.02	&	-0.01	&		
+																		&	-0.04	&	-0.01	&
+	\\
+				&	\tabc{$1\,^{1}A_1 \ra 1\,^{1}A_2$}	&	9.47		&	-0.15	&	-0.06	&		
+																		&	+0.03	&	+0.01	&		
+																		&	+0.00	&	+0.00	&		
+																		&	-0.03	&	+0.00	&
+	\\
+				&	\tabc{$1\,^{1}A_1 \ra 1\,^{1}A_1$}	&	9.97		&	-0.03	&	+0.02	&		
+																		&	+0.13	&	+0.08	&		
+																		&	+0.10	&	+0.07	&			
+																		&	+0.09	&	0.07	&
+	\\
+				&	\tabc{$1\,^{1}A_1 \ra 3\,^{1}B_1$}	&	7.33		&	-0.19	&	-0.08	&		
+																		&	+0.02	&	+0.00	&		
+																		&	+0.05	&	+0.01	&		
+																		&	0.00	&	+0.00	&
+	\\
+				&	\tabc{$1\,^{1}A_1 \ra 3\,^{1}A_2$}	&	9.30		&	-0.16	&	-0.06	&		
+																		&	+0.04	&	+0.02	&		
+																		&	+0.07	&	+0.03	&		
+																		&	+0.03	&	0.03	&
+	\\
+				&	\tabc{$1\,^{1}A_1 \ra 3\,^{1}A_1$}	&	9.59		&	-0.11	&	-0.05	&		
+																		&	+0.07	&	+0.02	&		
+																		&	+0.09	&	+0.03	&		
+																		&	+0.06	&	0.03	&
+	\\
+	\end{tabular}
+	\end{ruledtabular}
+	\end{table*}
+	\end{squeezetable}
+%%% %%% %%%
+
+
 %%%%%%%%%%%%%%%%%%%%%%%%
 \section{Conclusion}
 \label{sec:ccl}