diff --git a/Manuscript/SRGGW.tex b/Manuscript/SRGGW.tex index 2701917..9516ac0 100644 --- a/Manuscript/SRGGW.tex +++ b/Manuscript/SRGGW.tex @@ -544,9 +544,42 @@ This means that the cations used an unrestricted HF reference while the neutral \label{sec:results} %=================================================================% +The results section is divided in two parts. +The first step will be to analyse in depth the behavior of the two static self-energy approximations in a few test cases. +Then the accuracy of the IP yielded by the Sym and SRG schemes will be statistically gauged over a test set of molecules. + %%%%%%%%%%%%%%%%%%%%%% +\subsection{Flow parameter dependence of the SRG/Sym-qs$GW$/GF(2) schemes} +\label{sec:flow_param_dep} +%%%%%%%%%%%%%%%%%%%%%% + +%%% FIG 1 %%% +\begin{figure*} + \centering + \includegraphics[width=\linewidth]{fig1.pdf} + \caption{ + This figure is terrible, I will clean it. I put it here just to start writing the results discussion. Maybe fig 1 with only He and Ne but also the $\eta$ evolution because possible to converge for these molecules. Then figure 2 with H2O and BeO with SRG GW and SRG GF(2). + \label{fig:fig1}} +\end{figure*} +%%% %%% %%% %%% + + +%%%%%%%%%%%%%%%%%%%%%% +\subsection{Comparison of the Sym-qs and SRG-qs approximations} +\label{sec:SRG_vs_Sym} +%%%%%%%%%%%%%%%%%%%%%% + +The test set considered in this study is composed of the GW20 set of molecules introduced by Berkelbach \ant{check ref} and co-workers. +This set is made of the 20 smallest molecules of the GW100 benchmark set. +We also added the MgO and O3 molecules which are part of GW100 and are known to be difficult to converged for qs$GW$. +In addition, we considered the Quest 1 and 2 sets which is made of small and medium size organic molecules. + + +%=================================================================% \section{Conclusion} -%%%%%%%%%%%%%%%%%%%%%% +\label{sec:conclusion} +%=================================================================% + Here comes the conclusion. %%%%%%%%%%%%%%%%%%%%%%%% diff --git a/Manuscript/fig1.pdf b/Manuscript/fig1.pdf new file mode 100644 index 0000000..df816b4 Binary files /dev/null and b/Manuscript/fig1.pdf differ