diff --git a/Manuscript/SRGGW.tex b/Manuscript/SRGGW.tex index 8380811..e915b7d 100644 --- a/Manuscript/SRGGW.tex +++ b/Manuscript/SRGGW.tex @@ -708,12 +708,10 @@ Therefore, it seems that the effect of the TDA can not be systematically predict \centering \caption{First ionization potential in eV calculated using $\Delta$CCSD(T) (reference), HF, $G_0W_0$@HF, qs$GW$ and SRG-qs$GW$. The statistical descriptors are computed for the errors with respect to the reference.} \label{tab:tab1} - + \begin{ruledtabular} \begin{tabular}{lccccc} - \hline - \hline - molecule & $\Delta$CCSD(T) & HF & $G_0W_0$@HF & qs$GW$ & SRG-qs$GW$ \\ - & & & $\eta=0.001$ & $\eta=0.1$ & $s=100$ \\ + Mol. & $\Delta$CCSD(T) & HF & $G_0W_0$@HF & qs$GW$ & SRG-qs$GW$ \\ + & & & $\eta=\num{e-3}$ & $\eta=\num{e-1}$ & $s=\num{e2}$ \\ \hline \ce{He} & 24.54 & 24.98 & 24.59 & 24.58 & 24.54 \\ \ce{Ne} & 21.47 & 23.15 & 21.46 & 21.83 & 21.59 \\ @@ -743,9 +741,8 @@ Therefore, it seems that the effect of the TDA can not be systematically predict SDE & & 0.71 & 0.39 & 0.18 & 0.15 \\ Min & & -0.50 & -0.29 & -0.16 & -0.15 \\ Max & & 2.35 & 1.56 & 0.56 & 0.42 \\ - \hline - \hline \end{tabular} + \end{ruledtabular} \end{table} %%%%%%%%%%%%%%%%%%%%%% @@ -798,13 +795,12 @@ That would be nice to understand clearly why qsGWTDHF is worse (screening, gap, \begin{table} \centering - \caption{First ionization potential in eV calculated using $G_0W_{\text{TDA},0}$@HF, qs$GW_{\text{TDA}}$ and SRG-qs$GW_{\text{TDA}}$. The statistical descriptors are computed for the errors with respect to the reference.} + \caption{First ionization potential in eV calculated using $G_0W_0^{\text{TDA}x}$@HF, qs$GW^{\text{TDA}}$ and SRG-qs$GW^{\text{TDA}}$. The statistical descriptors are computed for the errors with respect to the reference.} \label{tab:tab1} + \begin{ruledtabular} \begin{tabular}{lccc} - \hline - \hline - molecule & $G_0W_{\text{TDA},0}$@HF & qs$GW_{\text{TDA}}$ & SRG-qs$GW_{\text{TDA}}$ \\ - & $\eta=0.001$ & $\eta=0.05$ & $s=100$ \\ + Mol. & $G_0W_0^{\text{TDA}}$@HF & qs$GW^{\text{TDA}}$ & SRG-qs$GW^{\text{TDA}}$ \\ + & $\eta=\num{e-3}$ & $\eta=\num{5e-2}$ & $s=\num{e2}$ \\ \hline \ce{He} & 24.45 & 24.48 & 24.39 \\ \ce{Ne} & 20.85 & 21.23 & 20.92 \\ @@ -837,6 +833,7 @@ That would be nice to understand clearly why qsGWTDHF is worse (screening, gap, \hline \hline \end{tabular} + \end{ruledtabular} \end{table} Part on EA: