fig and Notebook

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EnzoMonino 2021-02-26 18:20:29 +01:00
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@ -845,14 +845,14 @@ Finally, both SF-ADC(2)-x and SF-ADC(3) yield excitation energies very close to
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\begin{figure}
\begin{figure*}
\includegraphics[width=\linewidth]{fig1}
\caption{
Excitation energies (in eV) with respect to the $^1S(1s^2 2s^2)$ singlet ground state of \ce{Be} obtained with the 6-31G basis at various levels of theory:
SF-TD-DFT \cite{Casanova_2020} (red), SF-CIS \cite{Krylov_2001a} (purple), SF-BSE (blue), SF-ADC (orange), and FCI \cite{Krylov_2001a} (black).
All the spin-flip calculations have been performed with an unrestricted reference.
\label{fig:Be}}
\end{figure}
\end{figure*}
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