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Anthony Scemama 2020-04-21 12:19:32 +02:00
parent e6a25d1115
commit af0a46dcd7
9 changed files with 4 additions and 17812 deletions
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Manuscript/All-cyclo.eps
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Manuscript/main.tex
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@ -195,13 +195,13 @@ The water molecule have been extensively studied using CIPSI and DMC for both th
\end{tabular}
\end{table*}
\begin{figure*}
\includegraphics[width=5 in]{DMC-RSDFT.eps}
\includegraphics[width=5 in]{DMC-RSDFT.pdf}
\caption{SD-DMC energy (Ha) of $H_2O$ using an RSDFT trial wavefunction in cc-pcvNz (N=D,T,Q) }
\label{fig:RSDFT(DMC)}
\end{figure*}
\begin{figure*}
\includegraphics[width=5 in]{DMC-RS-CI.eps}
\includegraphics[width=5 in]{DMC-RS-CI.pdf}
\caption{MD-DMC energy (Ha) of $H_2O$ using an RSDFT-CI trial wavefunction in cc-pcvNz (N=D,T,Q) }
\label{fig:RSDFT(DMC)}
\end{figure*}
@ -415,7 +415,7 @@ CIPSI (unconverged)& \\
\begin{figure*}
\includegraphics[width=7 in]{All-cyclo.eps}
\includegraphics[width=7 in]{All-cyclo.pdf}
\caption{All results for cyclo-reversion barrier with cc-pvNz and aug-ccpvNz where N=D,T,Q. ALL DATA AND BETTER CURVES TOMORROW }
\label{fig:Cycloreversion-ALL}
\end{figure*}
@ -423,7 +423,7 @@ CIPSI (unconverged)& \\
\begin{figure*}
\includegraphics[width=7 in]{Raw-data.eps}
\includegraphics[width=7 in]{Raw-data.pdf}
\caption{All results for cyclo-reversion barrier with cc-pvNz and aug-ccpvNz where N=D,T,Q.ALL DATA AND BETTER CURVES TOMORROW }
\label{fig:Cycloreversion-ALL}
\end{figure*}