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% excitation energies
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% addresses
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\newcommand { \LCPQ } { Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\' e de Toulouse, CNRS, UPS, France}
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\begin { document}
\title { Supporting Information for ``Spin-Conserved and Spin-Flip Optical Excitations From the Bethe-Salpeter Equation Formalism''}
\author { Enzo \surname { Monino} }
\affiliation { \LCPQ }
\author { Pierre-Fran\c { c} ois \surname { Loos} }
\email { loos@irsamc.ups-tlse.fr}
\affiliation { \LCPQ }
\maketitle
%%% FIG 2 %%%
\begin { figure}
\includegraphics [width=\linewidth] { H2_ B3LYP}
\hspace { 0.05\linewidth }
\\
\includegraphics [width=\linewidth] { H2_ BLYP}
\vspace { 0.025\linewidth }
\\
\includegraphics [width=\linewidth] { H2_ dBSE}
\caption {
Excitation energies with respect to the $ \text { X } \, { } ^ 1 \Sigma _ g ^ + $ ground state of the $ \text { B } \, { } ^ 1 \Sigma _ u ^ + $ (red), $ \text { E } \, { } ^ 1 \Sigma _ g ^ + $ (black), and $ \text { F } \, { } ^ 1 \Sigma _ g ^ + $ (blue) states of \ce { H2} obtained with the cc-pVQZ basis at the (SF-)TD-B3LYP (top), (SF-) TD-BLYP (middle), and (SF-)dBSE (bottom) levels of theory.
The reference EOM-CCSD excitation energies are represented as solid lines, while the results obtained with and without spin-flip are represented as dashed and dotted lines, respectively.
All the spin-conserved and spin-flip calculations have been performed with an unrestricted reference.
The raw data are reported in the { \SI } .
\label { fig:H2} }
\end { figure}
%%% %%% %%%
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\bibliography { sfBSE}
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\end { document}
