add thirty more molecules in table 1
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@ -722,13 +722,13 @@ However, as we will see in the next subsection these are just particular molecul
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Also, the SRG-qs$GW_\TDA$ is better than qs$GW_\TDA$ in the three cases of Fig.~\ref{fig:fig3} but this is the other way around.
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Therefore, it seems that the effect of the TDA can not be systematically predicted.
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\begin{table}
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\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. \ANT{Maybe change the values of SRG with the one for s=1000}}
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\begin{table*}
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\caption{First ionization potential (left) and first electron attachment (right) 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. \ANT{Maybe change the values of SRG with the one for s=1000}}
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\label{tab:tab1}
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\begin{ruledtabular}
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\begin{tabular}{lddddd}
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Mol. & \multicolumn{1}{c}{$\Delta\text{CCSD(T)}$} & \multicolumn{1}{c}{HF} & \multicolumn{1}{c}{$G_0W_0$@HF} & \multicolumn{1}{c}{qs$GW$} & \multicolumn{1}{c}{SRg-qs$GW$} \\
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& & & \multicolumn{1}{c}{$\eta=\num{e-3}$} & \multicolumn{1}{c}{$\eta=\num{e-1}$} & \multicolumn{1}{c}{$s=\num{e2}$} \\
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\begin{tabular}{l|ddddd|ddddd}
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Mol. & \multicolumn{1}{c}{$\Delta\text{CCSD(T)}$} & \multicolumn{1}{c}{HF} & \multicolumn{1}{c}{$G_0W_0$@HF} & \multicolumn{1}{c}{qs$GW$} & \multicolumn{1}{c}{SRg-qs$GW$} & \multicolumn{1}{c}{$\Delta\text{CCSD(T)}$} & \multicolumn{1}{c}{HF} & \multicolumn{1}{c}{$G_0W_0$@HF} & \multicolumn{1}{c}{qs$GW$} & \multicolumn{1}{c}{SRg-qs$GW$} \\
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& \multicolumn{1}{c}{(Reference)} & & \multicolumn{1}{c}{$\eta=\num{e-3}$} & \multicolumn{1}{c}{$\eta=\num{e-1}$} & \multicolumn{1}{c}{$s=\num{e2}$} & \multicolumn{1}{c}{(Reference)} & & \multicolumn{1}{c}{$\eta=\num{e-3}$} & \multicolumn{1}{c}{$\eta=\num{e-1}$} & \multicolumn{1}{c}{$s=\num{e2}$} \\
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\hline
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\ce{He} & 24.54 & 24.98 & 24.59 & 24.58 & 24.54 \\
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\ce{Ne} & 21.47 & 23.15 & 21.46 & 21.83 & 21.59 \\
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@ -752,6 +752,37 @@ Therefore, it seems that the effect of the TDA can not be systematically predict
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\ce{F2} & 15.81 & 18.15 & 16.35 & 16.27 & 16.22 \\
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\ce{MgO} & 7.97 & 8.75 & 8.40 & 8.54 & 8.36 \\
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\ce{O3} & 12.85 & 13.29 & 13.56 & 13.34 & 13.27 \\
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\ce{C2H2} & & & & & & & & & & \\
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\ce{NCH} & & & & & & & & & & \\
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\ce{B2H6} & & & & & & & & & & \\
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\ce{H2CO} & & & & & & & & & & \\
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\ce{C2H4} & & & & & & & & & & \\
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\ce{SiH4} & & & & & & & & & & \\
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\ce{PH3} & & & & & & & & & & \\
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\ce{CH4O} & & & & & & & & & & \\
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\ce{H2NNH2} & & & & & & & & & & \\
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\ce{HOOH} & & & & & & & & & & \\
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\ce{KH} & & & & & & & & & & \\
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\ce{Na2} & & & & & & & & & & \\
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\ce{HN3} & & & & & & & & & & \\
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\ce{CO2} & & & & & & & & & & \\
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\ce{PN} & & & & & & & & & & \\
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\ce{CH2O2} & & & & & & & & & & \\
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\ce{C4} & & & & & & & & & & \\
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\ce{C3H6} & & & & & & & & & & \\
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\ce{C2H3F} & & & & & & & & & & \\
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\ce{C2H4O} & & & & & & & & & & \\
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\ce{C2H6O} & & & & & & & & & & \\
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\ce{C3H8} & & & & & & & & & & \\
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\ce{NaCl} & & & & & & & & & & \\
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\ce{P2} & & & & & & & & & & \\
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\ce{F2Mg} & & & & & & & & & & \\
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\ce{OCS} & & & & & & & & & & \\
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\ce{SO2} & & & & & & & & & & \\
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\ce{C2H3Cl} & & & & & & & & & & \\
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\hline
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& \multicolumn{1}{c}{$\Delta\text{CCSD(T)}$} & \multicolumn{1}{c}{HF} & \multicolumn{1}{c}{$G_0W_0$@HF} & \multicolumn{1}{c}{qs$GW$} & \multicolumn{1}{c}{SRg-qs$GW$} & \multicolumn{1}{c}{$\Delta\text{CCSD(T)}$} & \multicolumn{1}{c}{HF} & \multicolumn{1}{c}{$G_0W_0$@HF} & \multicolumn{1}{c}{qs$GW$} & \multicolumn{1}{c}{SRg-qs$GW$} \\
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& \multicolumn{1}{c}{(Reference)} & & \multicolumn{1}{c}{$\eta=\num{e-3}$} & \multicolumn{1}{c}{$\eta=\num{e-1}$} & \multicolumn{1}{c}{$s=\num{e2}$} & \multicolumn{1}{c}{(Reference)} & & \multicolumn{1}{c}{$\eta=\num{e-3}$} & \multicolumn{1}{c}{$\eta=\num{e-1}$} & \multicolumn{1}{c}{$s=\num{e2}$} \\
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\hline
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MSE & & 0.64 & 0.26 & 0.24 & 0.17 \\
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MAE & & 0.74 & 0.32 & 0.25 & 0.19 \\
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@ -760,7 +791,7 @@ Therefore, it seems that the effect of the TDA can not be systematically predict
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Max & & 2.35 & 1.56 & 0.56 & 0.42 \\
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\end{tabular}
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\end{ruledtabular}
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\end{table}
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\end{table*}
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%%%%%%%%%%%%%%%%%%%%%%
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\subsection{Statistical analysis}
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