minor modifications

BSE-PES.tex

@@ -433,15 +433,14 @@ However, we are currently pursuing different avenues to lower this cost by compu
 %\label{sec:PES}
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
 In order to illustrate the performance of the BSE-based adiabatic connection formulation, we have computed the ground-state PES of several closed-shell diatomic molecules around their equilibrium geometry: \ce{H2}, \ce{LiH}, \ce{LiF}, \ce{HCl}, \ce{N2}, \ce{CO}, \ce{BF}, and , \ce{F2}.
-The PES of these molecules for various methods and Dunning's triple-$\zeta$ basis cc-pVTZ are represented in Figs.~\ref{fig:PES-H2-LiH}, \ref{fig:PES-LiF-HCl}, \ref{fig:PES-N2-CO-BF}, and \ref{fig:PES-F2}, while the computed equilibrium distances for various basis sets are gathered in Table \ref{tab:Req}.
+The PES of these molecules for various methods are represented in Figs.~\ref{fig:PES-H2-LiH}, \ref{fig:PES-LiF-HCl}, \ref{fig:PES-N2-CO-BF}, and \ref{fig:PES-F2}, while the computed equilibrium distances for various basis sets are gathered in Table \ref{tab:Req}.
 Additional graphs for other basis sets can be found in the {\SI}.
 
 %%% 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. 
-The reference CC3 and corresponding BSE@$G_0W_0$@HF data are highlighted in black and red bold for visual convenience, respectively.
+The reference CC3 and corresponding BSE@{\GOWO}@HF data are highlighted in black and red bold for visual convenience, respectively.
-SI stands for singlet instability.
 }
 \label{tab:Req}
 	
@@ -507,7 +506,8 @@ SI stands for singlet instability.
 	\end{ruledtabular}
 \end{table*}
 
-Let us start with the two smallest molecules, \ce{H2} and \ce{LiH}, which are both held by covalent bonds (see Fig.~\ref{fig:PES-H2-LiH}).
+Let us start with the two smallest molecules, \ce{H2} and \ce{LiH}, which are both held by covalent bonds.
+Their corresponding PES computed with the cc-pVQZ basis are reported in Fig.~\ref{fig:PES-H2-LiH}.
 For \ce{H2}, we take as reference the full configuration interaction (FCI) energies \cite{QP2} and we also report the MP2 curve and its third-order variant (MP3), which improves upon MP2 towards FCI.
 RPA@HF and RPA@{\GOWO}@HF yield almost identical results, and significantly underestimate the FCI energy, while RPAx@HF and BSE@{\GOWO}@HF slightly over and undershoot the FCI energy, respectively, RPAx@HF being the best match in the case of \ce{H2}.
 Interestingly though, the BSE@{\GOWO}@HF scheme yields a more accurate equilibrium bond length than any other method irrespectively of the basis set.
@@ -520,10 +520,10 @@ Here again, the BSE@{\GOWO}@HF equilibrium bond length is extremely accurate ($3
 
 %%% FIG 1 %%%
 \begin{figure*}
-	\includegraphics[width=0.49\linewidth]{H2_GS_VTZ}
+	\includegraphics[width=0.49\linewidth]{H2_GS_VQZ}
-	\includegraphics[width=0.49\linewidth]{LiH_GS_VTZ}
+	\includegraphics[width=0.49\linewidth]{LiH_GS_VQZ}
 \caption{
-Ground-state PES of \ce{H2} (left) and \ce{LiH} (right) around their respective equilibrium geometry obtained at various levels of theory with the cc-pVTZ basis set. 
+Ground-state PES of \ce{H2} (left) and \ce{LiH} (right) around their respective equilibrium geometry obtained at various levels of theory with the cc-pVQZ basis set. 
 Additional graphs for other basis sets and within the frozen-core approximation can be found in the {\SI}.
 \label{fig:PES-H2-LiH}
 }