Be SF-TDDFT

This commit is contained in:
EnzoMonino 2020-11-02 17:59:18 +01:00
parent f68c0ffee1
commit 37e3301a8b

View File

@ -564,10 +564,10 @@ All the static and dynamic BSE calculations have been performed with the softwar
& BSE@{\GOWO} & BSE@{\evGW} & dBSE@{\GOWO} & dBSE@{\evGW} & BSE@{\GOWO} & BSE@{\evGW} & dBSE@{\GOWO} & dBSE@{\evGW}
& ADC(2) & ADC(2)-x & ADC(3) & FCI \\ & ADC(2) & ADC(2)-x & ADC(3) & FCI \\
\hline \hline
$^3P(1s^22s2p)$ & & & & 2.111 & & & & & & & & 2.862 \\ $^3P(1s^22s2p)$ & 3.210 & 3.332 & 2.874 & 2.111 & & & & & & & & 2.862 \\
$^1P(1s^22s2p)$ & & & & 6.036 & & & & & & & & 6.577 \\ $^1P(1s^22s2p)$ & 3.210 & 4.275& 4.922& 6.036 & & & & & & & & 6.577 \\
$^3P(1s^22p^2)$ & & & & 7.480 & & & & & & & & 7.669 \\ $^3P(1s^22p^2)$ & 6.691 & 6.864& 7.112 & 7.480 & & & & & & & & 7.669 \\
$^1P(1s^22p^2)$ & & & & 8.945 & & & & & & & & 8.624 \\ $^1P(1s^22p^2)$ & 7.598 & 7.762& 8.188 & 8.945 & & & & & & & & 8.624 \\
\end{tabular} \end{tabular}
\end{ruledtabular} \end{ruledtabular}
\end{table*} \end{table*}