diff --git a/Manuscript/C2.pdf b/Manuscript/C2.pdf deleted file mode 100644 index da7efee..0000000 Binary files a/Manuscript/C2.pdf and /dev/null differ diff --git a/Manuscript/C2H2.pdf b/Manuscript/C2H2.pdf deleted file mode 100644 index 9d5fd79..0000000 Binary files a/Manuscript/C2H2.pdf and /dev/null differ diff --git a/Manuscript/C2H4.pdf b/Manuscript/C2H4.pdf deleted file mode 100644 index d4366ef..0000000 Binary files a/Manuscript/C2H4.pdf and /dev/null differ diff --git a/Manuscript/C2_PBE.pdf b/Manuscript/C2_PBE.pdf deleted file mode 100644 index 55af5ca..0000000 Binary files a/Manuscript/C2_PBE.pdf and /dev/null differ diff --git a/Manuscript/C2_PBEot.pdf b/Manuscript/C2_PBEot.pdf deleted file mode 100644 index c437f79..0000000 Binary files a/Manuscript/C2_PBEot.pdf and /dev/null differ diff --git a/Manuscript/C2_mu.pdf b/Manuscript/C2_mu.pdf deleted file mode 100644 index 7a2656c..0000000 Binary files a/Manuscript/C2_mu.pdf and /dev/null differ diff --git a/Manuscript/C2_n.pdf b/Manuscript/C2_n.pdf deleted file mode 100644 index 53320e5..0000000 Binary files a/Manuscript/C2_n.pdf and /dev/null differ diff --git a/Manuscript/C2_n2.pdf b/Manuscript/C2_n2.pdf deleted file mode 100644 index 08ccd4c..0000000 Binary files a/Manuscript/C2_n2.pdf and /dev/null differ diff --git a/Manuscript/CH2.pdf b/Manuscript/CH2.pdf deleted file mode 100644 index f36c3d5..0000000 Binary files a/Manuscript/CH2.pdf and /dev/null differ diff --git a/Manuscript/CH2O.pdf b/Manuscript/CH2O.pdf deleted file mode 100644 index 446dc75..0000000 Binary files a/Manuscript/CH2O.pdf and /dev/null differ diff --git a/Manuscript/CO.pdf b/Manuscript/CO.pdf deleted file mode 100644 index 49c1756..0000000 Binary files a/Manuscript/CO.pdf and /dev/null differ diff --git a/Manuscript/Ex-srDFT.tex b/Manuscript/Ex-srDFT.tex index 8d9743b..98691d1 100644 --- a/Manuscript/Ex-srDFT.tex +++ b/Manuscript/Ex-srDFT.tex @@ -566,7 +566,7 @@ This trend is quite systematic as we shall see below. %%% FIG 1 %%% \begin{figure} - \includegraphics[width=\linewidth]{CH2} + \includegraphics[width=\linewidth]{fig1} \caption{Error in adiabatic excitation energies (in eV) of methylene for various basis sets and methods. The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV). See Table \ref{tab:CH2} for raw data.} @@ -726,7 +726,7 @@ However, these results also clearly evidence that special care has to be taken f %%% FIG 2 %%% \begin{figure} - \includegraphics[width=\linewidth]{H2O} + \includegraphics[width=\linewidth]{fig2} \caption{Error in vertical excitation energies (in eV) of water for various basis sets and methods. The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV). See the {\SI} for raw data.} @@ -736,7 +736,7 @@ However, these results also clearly evidence that special care has to be taken f %%% FIG 3 %%% \begin{figure} - \includegraphics[width=\linewidth]{NH3} + \includegraphics[width=\linewidth]{fig3} \caption{Error in vertical excitation energies (in eV) of ammonia for various basis sets and methods. The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV). See the {\SI} for raw data.} @@ -758,7 +758,7 @@ In other words, the UEG on-top pair density used in the $\LDA$ and $\PBEUEG$ fun %%% FIG 5 %%% \begin{figure} - \includegraphics[width=\linewidth]{C2} + \includegraphics[width=\linewidth]{fig4} \caption{Error in vertical excitation energies (in eV) for two doubly-excited states of the carbon dimer for various basis sets and methods. The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV). See the {\SI} for raw data.} @@ -788,9 +788,9 @@ Regarding now the differential effect of the basis-set correction in the special %%% FIG 4 %%% \begin{figure*} - \includegraphics[height=0.35\linewidth]{C2_mu} - \includegraphics[height=0.35\linewidth]{C2_PBEot} - \includegraphics[height=0.35\linewidth]{C2_n2} + \includegraphics[height=0.35\linewidth]{fig5a} + \includegraphics[height=0.35\linewidth]{fig5b} + \includegraphics[height=0.35\linewidth]{fig5c} \caption{$\rsmu{}{\Bas}$ (left), $\n{}{\Bas} \be{\text{c,md}}{\sr,\PBEot}$ (center) and $\n{2}{\Bas}$ (right) along the molecular axis ($z$) for the ground state (black curve) and second doubly-excited state (red curve) of \ce{C2} for various basis sets $\Bas$. The two electronic states are both of $\Sigma_g^+$ symmetry. The carbon nuclei are located at $z= \pm 1.180$ bohr and are represented by the thin black lines.} @@ -813,7 +813,7 @@ Consistently with the previous examples, the $\LDA$ and $\PBEUEG$ functionals ar %%% FIG 6 %%% \begin{figure} - \includegraphics[width=\linewidth]{C2H4} + \includegraphics[width=\linewidth]{fig6} \caption{Error in vertical excitation energies (in eV) of ethylene for various basis sets and methods. The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV). See the {\SI} for raw data.} diff --git a/Manuscript/H2O.pdf b/Manuscript/H2O.pdf deleted file mode 100644 index 58d65be..0000000 Binary files a/Manuscript/H2O.pdf and /dev/null differ diff --git a/Manuscript/NH3.pdf b/Manuscript/NH3.pdf deleted file mode 100644 index a336388..0000000 Binary files a/Manuscript/NH3.pdf and /dev/null differ