SI
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\documentclass[aip,jcp,reprint,noshowkeys,superscriptaddress]{revtex4-1}
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\usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,longtable,wrapfig,txfonts}
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\usepackage[version=4]{mhchem}
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\usepackage[utf8]{inputenc}
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\usepackage[T1]{fontenc}
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\usepackage{txfonts}
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\usepackage[
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colorlinks=true,
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citecolor=blue,
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breaklinks=true
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]{hyperref}
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\urlstyle{same}
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\newcommand{\ie}{\textit{i.e.}}
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\newcommand{\ie}{\textit{i.e.}}
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\newcommand{\eg}{\textit{e.g.}}
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\newcommand{\eg}{\textit{e.g.}}
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\newcommand{\alert}[1]{\textcolor{red}{#1}}
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\newcommand{\alert}[1]{\textcolor{red}{#1}}
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% addresses
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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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\newcommand{\LCPQ}{Laboratoire de Chimie et Physique Quantiques (UMR 5626), Universit\'e de Toulouse, CNRS, UPS, France}
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\begin{document}
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\title{Supporting Information for ``Spin-Conserved and Spin-Flip Optical Excitations From the Bethe-Salpeter Equation Formalism''}
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\author{Enzo \surname{Monino}}
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\affiliation{\LCPQ}
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\author{Pierre-Fran\c{c}ois \surname{Loos}}
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\email{loos@irsamc.ups-tlse.fr}
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\affiliation{\LCPQ}
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\maketitle
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%%% FIG 2 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{H2_B3LYP}
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\hspace{0.05\linewidth}
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\\
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\includegraphics[width=\linewidth]{H2_BLYP}
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\vspace{0.025\linewidth}
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\\
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\includegraphics[width=\linewidth]{H2_dBSE}
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\caption{
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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.
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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.
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All the spin-conserved and spin-flip calculations have been performed with an unrestricted reference.
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The raw data are reported in the {\SI}.
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\label{fig:H2}}
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\end{figure}
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%%% %%% %%%
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%%%%%%%%%%%%%%%%%%%%%%%%
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\bibliography{sfBSE}
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%%%%%%%%%%%%%%%%%%%%%%%%
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\end{document}
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@ -13,6 +13,180 @@
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]{hyperref}
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]{hyperref}
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\urlstyle{same}
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\newcommand{\tabc}[1]{\multicolumn{1}{c}{#1}}
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\newcommand{\SI}{\textcolor{blue}{supporting information}}
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% coordinates
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% methods
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%
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% operators
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% methods
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% energies
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\newcommand{\EcBSE}{E_\text{c}^\text{BSE}}
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% orbital energies
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%% bold in Table
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% excitation energies
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\newcommand{\OmRPA}[1]{\Omega_{#1}^{\text{RPA}}}
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\newcommand{\OmRPAx}[1]{\Omega_{#1}^{\text{RPAx}}}
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\newcommand{\OmBSE}[1]{\Omega_{#1}^{\text{BSE}}}
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% Matrices
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% units
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% orbitals, gaps, etc
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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}
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\begin{document}
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\title{Spin-Conserved and Spin-Flip Optical Excitations From the Bethe-Salpeter Equation Formalism}
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\title{Spin-Conserved and Spin-Flip Optical Excitations From the Bethe-Salpeter Equation Formalism}
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