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Pierre-Francois Loos 2020-07-24 23:30:40 +02:00
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BSEdyn.tex
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@ -1023,7 +1023,7 @@ A clear general trend is the consistent red shift of the static BSE excitation e
\begin{figure*} \begin{figure*}
\includegraphics[width=\linewidth]{fig1a} \includegraphics[width=\linewidth]{fig1a}
\includegraphics[width=\linewidth]{fig1b} \includegraphics[width=\linewidth]{fig1b}
\caption{Error (in eV) with respect to the TBEs of Refs.~\onlinecite{Loos_2018a,Loos_2019,Loos_2020b} for singlet (top) and triplet (bottom) excitation energies of various molecules obtained with the aug-cc-pVTZ basis set computed within the static (white) and dynamic (colored) BSE formalism. \caption{Error (in eV) with respect to the TBEs of Refs.~\onlinecite{Loos_2018a,Loos_2019,Loos_2020b} for singlet (top) and triplet (bottom) excitation energies of various molecules obtained with the aug-cc-pVTZ basis set computed within the static (red) and dynamic (blue) BSE formalism.
CT and R stand for charge transfer and Rydberg state, respectively. CT and R stand for charge transfer and Rydberg state, respectively.
See Tables \ref{tab:BigTabSi} and \ref{tab:BigTabTr} for raw data. See Tables \ref{tab:BigTabSi} and \ref{tab:BigTabTr} for raw data.
\label{fig:SiTr-SmallMol}} \label{fig:SiTr-SmallMol}}
@ -1097,7 +1097,7 @@ However, it is definitely an improvement in terms of performances as compared to
%%% FIG II %%% %%% FIG II %%%
\begin{figure*} \begin{figure*}
\includegraphics[width=\linewidth]{fig2} \includegraphics[width=\linewidth]{fig2}
\caption{Error (in eV) with respect to CC3 for singlet and triplet excitation energies of various molecules obtained with the aug-cc-pVDZ basis set computed within the static (white) and dynamic (colored) BSE formalism. \caption{Error (in eV) with respect to CC3 for singlet and triplet excitation energies of various molecules obtained with the aug-cc-pVDZ basis set computed within the static (red) and dynamic (blue) BSE formalism.
R stands for Rydberg state. R stands for Rydberg state.
See Table \ref{tab:BigMol} for raw data. See Table \ref{tab:BigMol} for raw data.
\label{fig:SiTr-BigMol}} \label{fig:SiTr-BigMol}}