renamed figures

This commit is contained in:
Emmanuel Giner 2020-04-06 16:07:08 +02:00
parent 8e54e7fea5
commit d4a7f11e75
19 changed files with 18 additions and 18 deletions

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@ -670,16 +670,16 @@ As it is a relatively small system, benchmark calculations at near-CBS values ar
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\begin{figure*}
\subfigure[cc-pVDZ]{
\includegraphics[width=0.45\linewidth]{data/H10/DFT_vdzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/H10/DFT_vdzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_1_a_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_1_a_2.pdf}
}
\subfigure[cc-pVTZ]{
\includegraphics[width=0.45\linewidth]{data/H10/DFT_vtzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/H10/DFT_vtzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_1_b_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_1_b_2.pdf}
}
\subfigure[cc-pVQZ]{
\includegraphics[width=0.45\linewidth]{data/H10/DFT_vqzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/H10/DFT_vqzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_1_c_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_1_c_2.pdf}
}
\caption{
Potential energy curves of the H$_{10}$ chain with equally-spaced atoms calculated with MRCI+Q and basis-set corrected MRCI+Q using the cc-pVDZ (top), cc-pVTZ (center), and cc-pVQZ (bottom) basis sets.
@ -754,12 +754,12 @@ The \ce{N2}, \ce{O2} and \ce{F2} molecules are complementary to the \ce{H10} sys
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\begin{figure*}
\subfigure[aug-cc-pVDZ]{
\includegraphics[width=0.45\linewidth]{data/N2/DFT_avdzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/N2/DFT_avdzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_2_a_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_2_a_2.pdf}
}
\subfigure[aug-cc-pVTZ]{
\includegraphics[width=0.45\linewidth]{data/N2/DFT_avtzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/N2/DFT_avtzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_2_b_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_2_b_2.pdf}
}
\caption{
Potential energy curves of the \ce{N2} molecule calculated with exFCI and basis-set corrected exFCI using the aug-cc-pVDZ (top) and aug-cc-pVTZ (bottom) basis sets. The estimated exact energies are based on a fit of experimental data and obtained from Ref.~\onlinecite{LieCle-JCP-74a}.
@ -770,12 +770,12 @@ The \ce{N2}, \ce{O2} and \ce{F2} molecules are complementary to the \ce{H10} sys
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{figure*}
\subfigure[aug-cc-pVDZ]{
\includegraphics[width=0.45\linewidth]{data/O2/DFT_avdzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/O2/DFT_avdzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth] {fig_3_a_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_3_a_2.pdf}
}
\subfigure[aug-cc-pVTZ]{
\includegraphics[width=0.45\linewidth]{data/O2/DFT_avtzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/O2/DFT_avtzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth] {fig_3_b_1.pdf}
\includegraphics[width=0.45\linewidth] {fig_3_b_2.pdf}
}
\caption{
Potential energy curves of the \ce{O2} molecule calculated with exFCI and basis-set corrected exFCI using the aug-cc-pVDZ (top) and aug-cc-pVTZ (bottom) basis sets.
@ -788,12 +788,12 @@ The estimated exact energies are based on a fit of experimental data and obtaine
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
\begin{figure*}
\subfigure[aug-cc-pVDZ]{
\includegraphics[width=0.45\linewidth]{data/F2/DFT_avdzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/F2/DFT_avdzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_4_a_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_4_a_2.pdf}
}
\subfigure[aug-cc-pVTZ]{
\includegraphics[width=0.45\linewidth]{data/F2/DFT_avtzE_relat.pdf}
\includegraphics[width=0.45\linewidth]{data/F2/DFT_avtzE_relat_zoom.pdf}
\includegraphics[width=0.45\linewidth]{fig_4_b_1.pdf}
\includegraphics[width=0.45\linewidth]{fig_4_b_2.pdf}
}
\caption{
Potential energy curves of the \ce{F2} molecule calculated with exFCI and basis-set corrected exFCI using the aug-cc-pVDZ (top) and aug-cc-pVTZ (bottom) basis sets.