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sfBSE-SI figures

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EnzoMonino 2021-02-26 10:07:48 +01:00
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Manuscript/sfBSE-SI.tex
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@ -491,23 +491,27 @@ $4.$ & $0 .3189$ & $0 .8867$ & $0 .3328$ & $0 .2172$ & $0 .9453$ & $0 \
\end{table*}
%%% FIG 2 %%%
\begin{figure}
\includegraphics[width=0.5\linewidth]{H2_CAM_B3LYP}
\begin{figure*}
\includegraphics[width=0.45\linewidth]{H2_CAM_B3LYP}
\hspace{0.05\linewidth}
\includegraphics[width=0.45\linewidth]{H2_B3LYP}
\vspace{0.025\linewidth}
\\
\includegraphics[width=0.5\linewidth]{H2_B3LYP}
\includegraphics[width=0.45\linewidth]{H2_BLYP}
\hspace{0.05\linewidth}
\includegraphics[width=0.45\linewidth]{H2_WB97X_D}
\vspace{0.025\linewidth}
\\
\includegraphics[width=0.5\linewidth]{H2_BLYP}
\includegraphics[width=0.45\linewidth]{H2_dBSE}
\hspace{0.05\linewidth}
\\
\includegraphics[width=0.5\linewidth]{H2_dBSE}
\caption{
Excitation energies with respect to the $\text{X}\,{}^1 \Sigma_g^+$ ground state of the $\text{B}\,{}^1\Sigma_u^+$ (red), $\text{E}\,{}^1\Sigma_g^+$ (black), and $\text{F}\,{}^1\Sigma_g^+$ (blue) states of \ce{H2} obtained with the cc-pVQZ basis at the (SF-)TD-B3LYP (top), (SF-) TD-BLYP (middle), and (SF-)dBSE (bottom) levels of theory.
The reference EOM-CCSD excitation energies are represented as solid lines, while the results obtained with and without spin-flip are represented as dashed and dotted lines, respectively.
All the spin-conserved and spin-flip calculations have been performed with an unrestricted reference.
\label{fig:H2}}
\end{figure}
\end{figure*}
%%% %%% %%%
%%% FIG 3 %%%