F2 figures in SI

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EnzoMonino 2022-04-22 11:51:16 +02:00
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\caption{Difference between non-regularized and regularized quasiparticle energies $\eps{p}{\GW}-\reps{p}{\GW}$ computed with $\kappa = 10$ as functions of the internuclear distance $\RHH$ (in \si{\angstrom}) of \ce{H2} at the {\GOWO}@HF/6-31G level. } \caption{Difference between non-regularized and regularized quasiparticle energies $\eps{p}{\GW}-\reps{p}{\GW}$ computed with $\kappa = 10$ as functions of the internuclear distance $\RHH$ (in \si{\angstrom}) of \ce{H2} at the {\GOWO}@HF/6-31G level. }
\end{figure} \end{figure}
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\section{\ce{F2} ground state}
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\begin{figure}
\includegraphics[width=0.6\linewidth]{f2_eta_1}
\caption{Ground-state potential energy surface of \ce{F2} around its equilibrium geometry obtained at various levels of theory with the cc-pVDZ basis set.}
\end{figure}
\begin{figure}
\includegraphics[width=0.6\linewidth]{f2_kappa_1}
\caption{Ground-state potential energy surface of \ce{F2} around its equilibrium geometry obtained at various levels of theory with the cc-pVDZ basis set.}
\end{figure}
\begin{figure}
\includegraphics[width=0.6\linewidth]{f2_kappa_10}
\caption{Ground-state potential energy surface of \ce{F2} around its equilibrium geometry obtained at various levels of theory with the cc-pVDZ basis set.}
\end{figure}
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\bibliography{ufGW} \bibliography{ufGW}
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