mveril/QUESTDB
1
1
Fork 0
forked from PTEROSOR/QUESTDB
Code Issues Pull Requests Releases Wiki Activity

clearpage

Browse Source
This commit is contained in:
Pierre-Francois Loos 2020-11-25 21:56:54 +01:00
parent 2c3d87cb1e
commit 3e99514b7b
1 changed files with 12 additions and 10 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

22
Manuscript/SI/QUEST_WIREs-SI.tex
View File

@ -667,7 +667,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
\end{table}
\clearpage
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histograms13}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the molecules of the QUEST database containing from one to three non-hydrogen atoms (closed-shell compounds only).
@ -677,7 +677,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histograms4}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the molecules of the QUEST database containing four non-hydrogen atoms (closed-shell compounds only).
@ -687,7 +687,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histograms56}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the molecules of the QUEST database containing five or six non-hydrogen atoms (closed-shell compounds only).
@ -697,7 +697,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histograms710}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the molecules of the QUEST database containing from 7 and 10 non-hydrogen atoms (closed-shell compounds only).
@ -707,7 +707,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histogramsnpi}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the $n \ra \pis$ excitations of the QUEST database (closed-shell compounds only).
@ -717,7 +717,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histogramsppi}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the $\pi \ra \pis$ excitations of the QUEST database (closed-shell compounds only).
@ -727,7 +727,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histogramsR}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the Rydberg excitations of the QUEST database (closed-shell compounds only).
@ -737,7 +737,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histogramsV}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the valence excitations of the QUEST database (closed-shell compounds only).
@ -747,7 +747,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histogramsS}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the singlet excitations of the QUEST database (closed-shell compounds only).
@ -757,7 +757,7 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\begin{figure}
\begin{figure}[h]
\centering
\includegraphics[width=0.9\textwidth]{histogramsT}
\caption{Distribution of the error (in eV) in excitation energies (with respect to the TBE/aug-cc-pVTZ values) for various methods for the triplet excitations of the QUEST database (closed-shell compounds only).
@ -767,6 +767,8 @@ Thioacrolein & $^1 A'' (n \ra \pis)$ &0.000 &86.4 &2.17 &2.17 &2.14 &2.15 &2.1
The SOS-CC2 and SCS-CC2 approaches are obtained with the latter code.}
\end{figure}
\clearpage
\bibliography{QUESTDB}