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@ -117,6 +117,70 @@ V5Z & - & 144.3 & - & 145.1
\end{ruledtabular}
\label{conv_He_table}
\end{table*}
\begin{table*}
\caption{Dissociation energy ($D_e$) in kcal/mol of the N$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-val}}$ (valence only interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.}
\begin{ruledtabular}
\begin{tabular}{lccccc}
%\hline
& CIPSI & CIPSI+LDA$_{\text{HF}}$ & CIPSI+LDA${_\text{HF-val}}$ & CIPSI+PBE$_{\text{HF}}$ & CIPSI+PBE${_\text{HF-val}}$ \\
\hline
V2Z & 200.9 & 216.3 & 218.2 & 222.3 & 225.8 \\
V3Z & 217.1 & 223.1 & 225.8 & 224.6 & 229.5 \\
V4Z & 223.5 & 227.9 & 228.8 & 227.7 & 230.3 \\
V5Z & 225.7 & 227.9 & 228.4 & 227.7 & 229.7 \\
%\hline
& \multicolumn{5}{c}{Estimated exact} \\
& \multicolumn{5}{c}{ 227.6} \\
\end{tabular}
\end{ruledtabular}
\label{conv_He_table}
\end{table*}
\begin{table*}
\caption{Dissociation energy ($D_e$) in kcal/mol of the F$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-val}}$ (valence only interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.}
\begin{ruledtabular}
\begin{tabular}{lccccc}
%\hline
& CIPSI & CIPSI+LDA$_{\text{HF}}$ & CIPSI+LDA${_\text{HF-val}}$ & CIPSI+PBE$_{\text{HF}}$ & CIPSI+PBE${_\text{HF-val}}$ \\
\hline
V2Z & 27.5 & 30.8 & 31.1 & 32.1 & 32.3 \\
V3Z & 35.4 & 37.0 & 37.5 & 37.5 & 37.8 \\
V4Z & 37.5 & 38.7 & 38.8 & 38.7 & 38.8 \\
V5Z & & & & & \\
%\hline
& \multicolumn{5}{c}{Estimated exact} \\
& \multicolumn{5}{c}{ 39.0} \\
\end{tabular}
\end{ruledtabular}
\label{conv_He_table}
\end{table*}
\begin{table*}
\caption{Dissociation energy ($D_e$) in kcal/mol of the O$_2$ molecule computed using FCIQMC, CIPSI, FCIQMC+F$_{12}$, CIPSI+LDA$_{\rm HF}$ and CIPSI+LDA$_{\text{HF-val}}$ (valence only interaction and density) in the Dunnng cc-pVXZ (VXZ) basis sets.}
\begin{ruledtabular}
\begin{tabular}{lccccc}
%\hline
& CIPSI & CIPSI+LDA$_{\text{HF}}$ & CIPSI+LDA${_\text{HF-val}}$ & CIPSI+PBE$_{\text{HF}}$ & CIPSI+PBE${_\text{HF-val}}$ \\
\hline
V2Z & 105.3 & 111.8 & 112.5 & 115.0 & 117.3 \\
V3Z & 114.6 & 117.2 & 118.5 & 118.4 & 120.5 \\
V4Z & 118.0 & 120.0 & 120.2 & 120.2 & 121.2 \\
V5Z & & & & & \\
%\hline
& \multicolumn{5}{c}{Estimated exact} \\
& \multicolumn{5}{c}{ 120.4} \\
\end{tabular}
\end{ruledtabular}
\label{conv_He_table}
\end{table*}
%
\bibliography{G2-srDFT}