resolving issue

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Pierre-Francois Loos 2022-04-05 14:13:03 +02:00
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commit 25f571e1f4
2 changed files with 4666 additions and 4616 deletions

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@ -1009,6 +1009,37 @@ The SF-ADC(2)-s, SF-ADC(2)-x and SF-ADC(3)results are presented and are consiste
%Here again we can make the same comment for the $2\,{}^1A_{1g}$ and $1\,{}^1B_{2g}$ states of the square CBD than the $1\,{}^1B_{1g}$ and $2\,{}^1A_{g}$ states of the rectangular CBD. The first state ($2\,{}^1A_{1g}$) has a strong multi-configurational character %Here again we can make the same comment for the $2\,{}^1A_{1g}$ and $1\,{}^1B_{2g}$ states of the square CBD than the $1\,{}^1B_{1g}$ and $2\,{}^1A_{g}$ states of the rectangular CBD. The first state ($2\,{}^1A_{1g}$) has a strong multi-configurational character
\begin{squeezetable}
\begin{table}
\caption{}
% \label{}
\begin{ruledtabular}
\begin{tabular}{lr}
% & \mc{4}{c}{Basis sets} \\
% \cline{2-5}
Method & AB \\
\hline
TBE \fnm[1] & $8.93$\\
ic-MRCISD+Q/cc-pVTZ \fnm[2] & $8.93$\\
Mk-MRCCSD/cc-pVTZ \fnm[2] & $10.09$\\
Mk-MRCCSD(T)/cc-pVTZ \fnm[2] & $8.56$\\[0.1cm]
SUCCSD/cc-pVTZ \fnm[3] & $8.7$\\
MkCCSD/cc-pVTZ \fnm[3] & $9.6$\\
RMRCCSD(T)/cc-pVTZ \fnm[3] & $9.5$\\[0.1cm]
MRCISD/cc-pVTZ \fnm[4] & $8.4$\\
MRCISD + Q/cc-pVTZ \fnm[4] & $8.8$\\
MRAQCC \fnm[4] & $8.9$\\[0.1cm]
\end{tabular}
\end{ruledtabular}
\fnt[1]{TBE obtained at the CCSDTQ/aug-cc-pVTZ level in this work.}
\fnt[2]{From Ref.~\onlinecite{Zhang_2019}.}
\fnt[3]{From Ref.~\onlinecite{Li_2009}.}
\fnt[4]{From Ref.~\onlinecite{Eckert-Maksic_2006}.}
\end{table}
\end{squeezetable}
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%%% TABLE I %%% %%% TABLE I %%%