Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE

Manuscript/sfBSE.tex

@@ -943,6 +943,9 @@ Now, looking at Table \ref{tab:CBD_D4h} which gathers the results for the square
 This is certainly due to the poor Hartree-Fock reference which lacks opposite-spin correlation and this issue could be potentially alleviated by using a better starting point for the $GW$ calculation, as discussed in Sec.~\ref{sec:compdet}. 
 Nonetheless, it is pleasing to see that adding the dynamical correction in SF-dBSE@{\GOWO} not only improves the agreement with SF-ADC(3) but also retrieves the right state ordering. 
 Then, CBD stands as an excellent example for which dynamical corrections are necessary to get the right chemistry at the SF-BSE level.
+Another interesting feature is the wrong ordering of the $2\,{}^1A_{1g}$ and $1\,{}^1B_{2g}$ states at the SF-B3LYP, SF-BH\&HLYP, and SF-CIS levels which give the former higher in energy than the latter.
+This issue does not appear at the SF-BSE, SF-ADC, and SF-EOM-SF-CCSD levels.
+
 
 %%% FIG 3 %%%
 \begin{figure*}
@@ -1001,8 +1004,8 @@ Then, CBD stands as an excellent example for which dynamical corrections are nec
 									\cline{2-4}
 			Method					&	$1\,{}^3A_{2g}$	&	$2\,{}^1A_{1g}$	&	$1\,{}^1B_{2g}$	\\
 			\hline
-			SF-TD-B3LYP\fnm[3]		&	$-0.020$	&	$0.486$	&	$0.547$	\\
-			SF-TD-BH\&HLYP\fnm[3]	&	$0.048$		&	$1.282$	&	$1.465$	\\
+			SF-TD-B3LYP\fnm[3]		&	$-0.020$	&	$0.547$	&	$0.486$	\\
+			SF-TD-BH\&HLYP\fnm[3]	&	$0.048$		&	$1.465$	&	$1.282$	\\
 			SF-CIS\fnm[1]			&	$0.317$		&	$3.125$	&	$2.650$	\\
 			EOM-SF-CCSD\fnm[1]		&	$0.369$		&	$1.824$	&	$2.143$	\\
 			EOM-SF-CCSD(fT)\fnm[1]	&	$0.163$		&	$1.530$	&	$1.921$	\\
@@ -1040,7 +1043,8 @@ This project has received funding from the European Research Council (ERC) under
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 \section*{Supporting information available}
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-Additional graphs comparing (SF-)TD-BLYP, (SF-)TD-B3LYP, and (SF-)dBSE with EOM-CCSD for the \ce{H2} molecule, raw data associated with Fig.~\ref{fig:H2}, output files associated with all the calculations performed in the present article.
+Additional graphs comparing (SF-)TD-BLYP, (SF-)TD-B3LYP, and (SF-)dBSE with EOM-CCSD for the \ce{H2} molecule and raw data associated with Fig.~\ref{fig:H2}.
+%output files associated with all the calculations performed in the present article.
 
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 %\section*{Data availability statement}