diff --git a/Manuscript/GW-srDFT.tex b/Manuscript/GW-srDFT.tex index 5b9d81c..24027a2 100644 --- a/Manuscript/GW-srDFT.tex +++ b/Manuscript/GW-srDFT.tex @@ -409,6 +409,10 @@ Moreover, the infinitesimal $\eta$ has been set to zero. \label{sec:res} %%%%%%%%%%%%%%%%%%%%%%%% +In this section, we study a subset of atoms and molecules from the GW100 test set. +In particular, we study the 20 smallest molecules of the GW100 set, a subset that we label as GW20. +We also study the five canonical nucleobases (adenine, cytosine, thymine, guanine and uracil) which are also part of the GW100 test set. + %%% TABLE I %%% \begin{squeezetable} \begin{table*} @@ -550,7 +554,7 @@ The deviation with respect to the {\GOWO}@PBE/def2-TQZVP extrapolated values are \begin{figure*} \includegraphics[width=\linewidth]{DNA} \caption{ - Error (in eV) with respect to the {\GOWO}@PBE/def2-TQZVP extrapolated values in the IPs of the five canonical nucleobases (adenine, cytosine, thymine, guanine and uracil) computed at the {\GOWO}@PBE level of theory for various basis sets. + Error (in eV) with respect to the {\GOWO}@PBE/def2-TQZVP extrapolated values fort the IPs of the five canonical nucleobases (adenine, cytosine, thymine, guanine and uracil) computed at the {\GOWO}@PBE level of theory for various basis sets. \label{fig:DNA} } \end{figure*} diff --git a/References/Sham_1983.pdf b/References/Sham_1983.pdf new file mode 100644 index 0000000..2dd42fd Binary files /dev/null and b/References/Sham_1983.pdf differ