From d4a7f11e7550f14780f9b826bbae16b0a6cdbe7c Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Mon, 6 Apr 2020 16:07:08 +0200 Subject: [PATCH] renamed figures --- Revised_Manuscript/fig_1_a_1.pdf | Bin 0 -> 12263 bytes .../DFT_vdzE_relat_zoom.pdf => fig_1_a_2.pdf} | Bin .../H10/DFT_vtzE_relat.pdf => fig_1_b_1.pdf} | Bin .../DFT_vtzE_relat_zoom.pdf => fig_1_b_2.pdf} | Bin .../H10/DFT_vqzE_relat.pdf => fig_1_c_1.pdf} | Bin .../DFT_vqzE_relat_zoom.pdf => fig_1_c_2.pdf} | Bin .../N2/DFT_avdzE_relat.pdf => fig_2_a_1.pdf} | Bin ...DFT_avdzE_relat_zoom.pdf => fig_2_a_2.pdf} | Bin .../N2/DFT_avtzE_relat.pdf => fig_2_b_1.pdf} | Bin ...DFT_avtzE_relat_zoom.pdf => fig_2_b_2.pdf} | Bin .../O2/DFT_avdzE_relat.pdf => fig_3_a_1.pdf} | Bin ...DFT_avdzE_relat_zoom.pdf => fig_3_a_2.pdf} | Bin .../O2/DFT_avtzE_relat.pdf => fig_3_b_1.pdf} | Bin ...DFT_avtzE_relat_zoom.pdf => fig_3_b_2.pdf} | Bin .../F2/DFT_avdzE_relat.pdf => fig_4_a_1.pdf} | Bin ...DFT_avdzE_relat_zoom.pdf => fig_4_a_2.pdf} | Bin 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index 100% rename from Revised_Manuscript/data/O2/DFT_avtzE_relat.pdf rename to Revised_Manuscript/fig_3_b_1.pdf diff --git a/Revised_Manuscript/data/O2/DFT_avtzE_relat_zoom.pdf b/Revised_Manuscript/fig_3_b_2.pdf similarity index 100% rename from Revised_Manuscript/data/O2/DFT_avtzE_relat_zoom.pdf rename to Revised_Manuscript/fig_3_b_2.pdf diff --git a/Revised_Manuscript/data/F2/DFT_avdzE_relat.pdf b/Revised_Manuscript/fig_4_a_1.pdf similarity index 100% rename from Revised_Manuscript/data/F2/DFT_avdzE_relat.pdf rename to Revised_Manuscript/fig_4_a_1.pdf diff --git a/Revised_Manuscript/data/F2/DFT_avdzE_relat_zoom.pdf b/Revised_Manuscript/fig_4_a_2.pdf similarity index 100% rename from Revised_Manuscript/data/F2/DFT_avdzE_relat_zoom.pdf rename to Revised_Manuscript/fig_4_a_2.pdf diff --git a/Revised_Manuscript/data/F2/DFT_avtzE_relat.pdf b/Revised_Manuscript/fig_4_b_1.pdf similarity index 100% rename from Revised_Manuscript/data/F2/DFT_avtzE_relat.pdf rename to Revised_Manuscript/fig_4_b_1.pdf diff --git a/Revised_Manuscript/data/F2/DFT_avtzE_relat_zoom.pdf b/Revised_Manuscript/fig_4_b_2.pdf similarity index 100% rename from Revised_Manuscript/data/F2/DFT_avtzE_relat_zoom.pdf rename to Revised_Manuscript/fig_4_b_2.pdf diff --git a/Revised_Manuscript/srDFT_SC.tex b/Revised_Manuscript/srDFT_SC.tex index 19642df..44d2684 100644 --- a/Revised_Manuscript/srDFT_SC.tex +++ b/Revised_Manuscript/srDFT_SC.tex @@ -670,16 +670,16 @@ As it is a relatively small system, benchmark calculations at near-CBS values ar %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \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 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% \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.