Be SF-TDDFT
This commit is contained in:
parent
f68c0ffee1
commit
37e3301a8b
@ -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*}
|
||||||
|
Loading…
Reference in New Issue
Block a user