Reshufling files
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@ -566,7 +566,7 @@ This trend is quite systematic as we shall see below.
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%%% FIG 1 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{CH2}
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\includegraphics[width=\linewidth]{fig1}
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\caption{Error in adiabatic excitation energies (in eV) of methylene for various basis sets and methods.
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The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV).
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See Table \ref{tab:CH2} for raw data.}
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@ -726,7 +726,7 @@ However, these results also clearly evidence that special care has to be taken f
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%%% FIG 2 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{H2O}
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\includegraphics[width=\linewidth]{fig2}
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\caption{Error in vertical excitation energies (in eV) of water for various basis sets and methods.
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The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV).
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See the {\SI} for raw data.}
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@ -736,7 +736,7 @@ However, these results also clearly evidence that special care has to be taken f
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%%% FIG 3 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{NH3}
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\includegraphics[width=\linewidth]{fig3}
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\caption{Error in vertical excitation energies (in eV) of ammonia for various basis sets and methods.
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The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV).
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See the {\SI} for raw data.}
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@ -758,7 +758,7 @@ In other words, the UEG on-top pair density used in the $\LDA$ and $\PBEUEG$ fun
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%%% FIG 5 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{C2}
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\includegraphics[width=\linewidth]{fig4}
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\caption{Error in vertical excitation energies (in eV) for two doubly-excited states of the carbon dimer for various basis sets and methods.
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The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV).
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See the {\SI} for raw data.}
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@ -788,9 +788,9 @@ Regarding now the differential effect of the basis-set correction in the special
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%%% FIG 4 %%%
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\begin{figure*}
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\includegraphics[height=0.35\linewidth]{C2_mu}
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\includegraphics[height=0.35\linewidth]{C2_PBEot}
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\includegraphics[height=0.35\linewidth]{C2_n2}
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\includegraphics[height=0.35\linewidth]{fig5a}
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\includegraphics[height=0.35\linewidth]{fig5b}
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\includegraphics[height=0.35\linewidth]{fig5c}
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\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 $\Bas$.
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The two electronic states are both of $\Sigma_g^+$ symmetry.
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The carbon nuclei are located at $z= \pm 1.180$ bohr and are represented by the thin black lines.}
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@ -813,7 +813,7 @@ Consistently with the previous examples, the $\LDA$ and $\PBEUEG$ functionals ar
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%%% FIG 6 %%%
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\begin{figure}
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\includegraphics[width=\linewidth]{C2H4}
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\includegraphics[width=\linewidth]{fig6}
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\caption{Error in vertical excitation energies (in eV) of ethylene for various basis sets and methods.
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The green region corresponds to chemical accuracy (i.e., error below 1 {\kcal} or 0.043 eV).
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See the {\SI} for raw data.}
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