diff --git a/Manuscript/SI/QUEST_WIREs-SI.tex b/Manuscript/SI/QUEST_WIREs-SI.tex index 3eef9ea..52f940c 100644 --- a/Manuscript/SI/QUEST_WIREs-SI.tex +++ b/Manuscript/SI/QUEST_WIREs-SI.tex @@ -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}