BSE-PES/SI/BSE-PES-SI.tex

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\newcommand{\NEEL}{Univ. Grenoble Alpes, CNRS, Institut NEEL, F-38042 Grenoble, France}
\newcommand{\CEISAM}{Laboratoire CEISAM - UMR CNRS 6230, Universit\'e de Nantes, 2 Rue de la Houssini\`ere, BP 92208, 44322 Nantes Cedex 3, France}
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\begin{document}	

\title{Supporting Information for ``Ground-State Potential Energy Surfaces Within the Bethe-Salpeter Formalism: Pros and Cons''}

\author{Xavier \surname{Blase}}
\email{xavier.blase@neel.cnrs.fr }
\affiliation{\NEEL}
\author{Ivan \surname{Duchemin}}
\email{ivan.duchemin@cea.fr}
\affiliation{\CEA}
\author{Anthony \surname{Scemama}}
\email{scemama@irsamc.ups-tlse.fr}
\affiliation{\LCPQ}
\author{Denis \surname{Jacquemin}}
\email{denis.jacquemin@univ-nantes.fr}
\affiliation{\CEISAM}
\author{Pierre-Fran\c{c}ois \surname{Loos}}
\email{loos@irsamc.ups-tlse.fr}
\affiliation{\LCPQ}

\begin{abstract}
\end{abstract}

\maketitle

%%% FIG 1 %%%
\begin{figure*}
	% H2
	\includegraphics[width=0.49\linewidth]{../Data/H2_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/H2_GS_VTZ}	
\caption{
Ground-state potential energy surfaces of \ce{H2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-H2}
}
\end{figure*}
%%% %%% %%%

%%% FIG 2 %%%
\begin{figure*}
	% LiH
	\includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/LiH_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{LiH} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-LiH}
}
\end{figure*}
%%% %%% %%%

%%% FIG 3 %%%
\begin{figure*}
	% LiF
	\includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/LiF_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{LiF} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-LiF}
}
\end{figure*}
%%% %%% %%%

%%% FIG 5 %%%
\begin{figure*}
	% HCl
	\includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/HCl_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{HCl} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-HCl}
}
\end{figure*}
%%% %%% %%%

%%% FIG 6 %%%
\begin{figure*}
	% N2
	\includegraphics[width=0.49\linewidth]{../Data/N2_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/N2_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/N2_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/N2_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/N2_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{N2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-N2}
}
\end{figure*}
%%% %%% %%%

%%% FIG 6 %%%
\begin{figure*}
	% CO
	\includegraphics[width=0.49\linewidth]{../Data/CO_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/CO_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/CO_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/CO_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/CO_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{CO} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-CO}
}
\end{figure*}
%%% %%% %%%

%%% FIG 6 %%%
\begin{figure*}
	% N2
	\includegraphics[width=0.49\linewidth]{../Data/BF_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/BF_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/BF_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/BF_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/BF_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{BF} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-BF}
}
\end{figure*}
%%% %%% %%%

%%% FIG 6 %%%
\begin{figure*}
	% N2
	\includegraphics[width=0.49\linewidth]{../Data/F2_GS_VDZ}
	\includegraphics[width=0.49\linewidth]{../Data/F2_GS_VTZ}
	\includegraphics[width=0.49\linewidth]{../Data/F2_GS_VDZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/F2_GS_VTZ_FC}
	\includegraphics[width=0.49\linewidth]{../Data/F2_GS_VQZ_FC}
\caption{
Ground-state potential energy surfaces of \ce{F2} around its respective equilibrium geometry obtained at various levels of theory and basis sets. 
\label{fig:PES-F2}
}
\end{figure*}
%%% %%% %%%


%%% %%% %%%
%%% TABLE I %%%
%\begin{table*}
%\caption{
%Equilibrium distances (in bohr) of the ground state of diatomic molecules obtained at various levels of theory and basis sets. 
%All these values have been obtained within the frozen-core approximation.
%The reference CC3 and corresponding BSE@{\GOWO}@HF data are highlighted in bold black and bold red for visual convenience, respectively.
%The values in parenthesis have been obtained by fitting a Morse potential to the PES.
%}
%\label{tab:Req-FC}
%	
%	\begin{ruledtabular}
%	\begin{tabular}{llcccccccc}
%				&				&	\mc{8}{c}{Molecules}	\\
%									\cline{3-10}
%	Method		&	Basis		&	\ce{H2}		&	\ce{LiH}	&	\ce{LiF}	&	\ce{HCl}	&	\ce{N2}			&	\ce{CO}	&	\ce{BF}	&	\ce{F2}	\\
%	\hline
%	CC3				&	cc-pVDZ		&	1.438	&	3.052	&	3.014	&	2.115	&	2.167	&	2.447	&	2.741	&	2.438	\\
%					&	cc-pVTZ		&	1.403	&	3.036	&	2.985	&	2.087	&	2.150	&	2.405	&	2.672	&	2.414	\\
%					&	cc-pVQZ		&	1.402	&	3.037	&	2.985	&	2.080	&	2.142	&	2.398	&	2.667	&	2.413	\\
%	CCSD			&	cc-pVDZ		&	1.438	&	3.044	&	3.006	&	2.101	&	2.149	&	2.435	&	2.695	&	2.433	\\
%					&	cc-pVTZ		&	1.403	&	3.012	&	2.954	&	2.064	&	2.126	&	2.382	&	2.629	&	2.409	\\
%					&	cc-pVQZ		&	1.402	&	3.020	&	2.953	&	2.059	&	2.118	&	2.380	&	2.621	&	2.398	\\
%	CC2				&	cc-pVDZ		&	1.426	&			&		&		&		&		&		&			\\
%					&	cc-pVTZ		&	1.393	&			&		&		&		&		&		&			\\
%					&	cc-pVQZ		&	1.391	&			&		&		&		&		&		&			\\
%	MP2				&	cc-pVDZ		&	1.426	&	3.049	&	3.012	&	2.134	&	2.167	&	2.433	&	2.681	&	2.429		\\
%					&	cc-pVTZ		&	1.393	&	3.026	&	2.990	&	2.104	&	2.151	&	2.395	&	2.640	&	2.407		\\
%					&	cc-pVQZ		&	1.391	&	3.026	&	2.990	&	2.098	&	2.144	&	2.389	&	2.638	&	2.405		\\
%	BSE@{\GOWO}@HF	&	cc-pVDZ		&	1.437	&			&		&		&		&		&		&			\\
%					&	cc-pVTZ		&	1.404	&			&		&		&		&		&		&			\\
%					&	cc-pVQZ		&	1.399	&			&		&		&		&		&		&			\\
%	RPA@{\GOWO}@HF	&	cc-pVDZ		&	1.426	&			&		&		&		&		&		&			\\
%					&	cc-pVTZ		&	1.388	&			&		&		&		&		&		&			\\
%					&	cc-pVQZ		&	1.382	&			&		&		&		&		&		&			\\
%	RPAx@HF			&	cc-pVDZ		&	1.428	&			&		&		&		&		&		&			\\
%					&	cc-pVTZ		&	1.395	&			&		&		&		&		&		&			\\
%					&	cc-pVQZ		&	1.394	&			&		&		&		&		&		&			\\
%	RPA@HF			&	cc-pVDZ		&	1.431	&			&		&		&		&		&		&			\\
%					&	cc-pVTZ		&	1.388	&			&		&		&		&		&		&			\\
%					&	cc-pVQZ		&	1.386	&			&		&		&		&		&		&			\\
%	\end{tabular}
%	\end{ruledtabular}
%\end{table*}


\bibliography{../BSE-PES,../BSE-PES-control}

\end{document}