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z>-vKG{u`bO`gfRE-qjY;0@7Ib-zEMB^@c#mPWC3Q#*mEmw8n;(PWAv06Nn9hbJJS5 zxHxb#L*Q-*)7;6>!NStmnaSSCobIpS5`m<;k{o2w}2AYJ9pKbqJ4$R8_U;Tkux&Esyn2Y7##_Qr_2zm2zLVj5dqGIV~`r^NrcN1lMd&ms@ kpQRL1c4m-i^si+O&Mt;dE`L1E0*MMvWGX5#1##s62i(kO$^ZZW literal 0 HcmV?d00001 diff --git a/Manuscript/sfBSE-SI.tex b/Manuscript/sfBSE-SI.tex index 64c9129..505949f 100644 --- a/Manuscript/sfBSE-SI.tex +++ b/Manuscript/sfBSE-SI.tex @@ -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 %%%