rename figs

Manuscript/G2-srDFT.tex

@@ -330,7 +330,7 @@ The short-range LDA correlation functional relies on the transferability of the
 In order to correct such a defect, we propose here a new Perdew-Burke-Ernzerhof (PBE)-based ECMD functional 
 \begin{equation}
 	\label{eq:def_pbe_tot}
-	\titou{\bE{\PBE}{\Bas}[\n{}{},s,\rsmu{}{\Bas}] =
+	\titou{\bE{\PBE}{\Bas}[\n{}{},\rsmu{}{\Bas}] =
 	\int \n{}{}(\br{}) \be{\text{c,md}}{\sr,\PBE}\qty(\n{}{}(\br{}),s(\br{}),\zeta(\br{}),\rsmu{}{\Bas}(\br{})) \dbr{},}
 \end{equation}
 \titou{(where $s$ is the reduced gradient)} inspired by the recent functional proposed by some of the authors. \cite{FerGinTou-JCP-18} 
@@ -378,7 +378,7 @@ with
 and the corresponding FC range-separation function $\rsmuFC{}{\Bas}(\br{}) = (\sqrt{\pi}/2) \WFC{}{\Bas}(\br{},\br{})$.
 It is noteworthy that, within the present definition, $\WFC{}{\Bas}(\br{1},\br{2})$ still tends to the regular Coulomb interaction as $\Bas \to \infty$.
 
-Defining $\nFC{\modZ}{\Bas}$ \manu{and $\tilde{s}_{\modZ}^{\Bas}$} as the FC (i.e.~valence-only) one-electron density \manu{and reduced gradient, respectively,} obtained with a method $\modZ$ in $\Bas$, the FC contribution of the complementary functional is then approximated by $\bE{\LDA}{\Bas}[\nFC{\modZ}{\Bas},\rsmuFC{}{\Bas}]$ or $\bE{\PBE}{\Bas}[\nFC{\modZ}{\Bas},\manu{\tilde{s}_{\modZ}^{\Bas}},\rsmuFC{}{\Bas}]$.
+Defining $\nFC{\modZ}{\Bas}$ as the FC (i.e.~valence-only) one-electron density obtained with a method $\modZ$ in $\Bas$, the FC contribution of the complementary functional is then approximated by $\bE{\LDA}{\Bas}[\nFC{\modZ}{\Bas},\rsmuFC{}{\Bas}]$ or $\bE{\PBE}{\Bas}[\nFC{\modZ}{\Bas},\rsmuFC{}{\Bas}]$.
 
 %=================================================================
 %\subsection{Computational considerations}
@@ -402,13 +402,13 @@ iii) vanishes in the CBS limit, hence guaranteeing an unaltered CBS limit for a
 
 %%% FIGURE 1 %%%
 \begin{figure*}
-	\includegraphics[width=0.30\linewidth]{C2_VXZ}
+	\includegraphics[width=0.30\linewidth]{fig1a}
 	\hspace{1cm}
-	\includegraphics[width=0.30\linewidth]{O2_VXZ}
+	\includegraphics[width=0.30\linewidth]{fig1b}
 	\\
-	\includegraphics[width=0.30\linewidth]{N2_VXZ}
+	\includegraphics[width=0.30\linewidth]{fig1c}
 	\hspace{1cm}
-	\includegraphics[width=0.30\linewidth]{F2_VXZ}
+	\includegraphics[width=0.30\linewidth]{fig1d}
 	\caption{
 	Deviation (in \kcal) from CBS atomization energies of \ce{C2} (top left), \ce{O2} (top right), \ce{N2} (bottom left) and \ce{F2} (bottom right) obtained with various methods and basis sets.
 	The green region corresponds to chemical accuracy (i.e.~error below 1 {\kcal}).
@@ -446,9 +446,9 @@ iii) vanishes in the CBS limit, hence guaranteeing an unaltered CBS limit for a
 
 %%% FIGURE 2 %%%
 \begin{figure*}
-	\includegraphics[width=\linewidth]{VDZ}
-	\includegraphics[width=\linewidth]{VTZ}
-	\includegraphics[width=\linewidth]{VQZ}
+	\includegraphics[width=\linewidth]{fig2a}
+	\includegraphics[width=\linewidth]{fig2b}
+	\includegraphics[width=\linewidth]{fig2c}
 	\caption{
 	Deviation (in \kcal) from the CCSD(T)/CBS atomization energy obtained with various methods with the cc-pVDZ (top), cc-pVTZ (center) and cc-pVQZ (bottom) basis sets.
 	The green region corresponds to chemical accuracy (i.e.~error below 1 {\kcal}).

Manuscript/SI/G2_srDFT-SI.tex

@@ -116,7 +116,7 @@
 
 \begin{document}	
 
-\title{Supplementary Information for ``A Density-Based Basis Set Correction For Wave Function Theory''}
+\title{Supplementary Information for ``A Density-Based Basis-Set Correction For Wave Function Theory''}
 
 \author{Pierre-Fran\c{c}ois Loos}
 \email{loos@irsamc.ups-tlse.fr}