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EnzoMonino 2021-01-18 11:46:03 +01:00
parent 756775fa2a
commit 6873d4a413

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@ -642,27 +642,27 @@ Generally we can observe that all the scheme with SF-BSE used do not increase si
& $^3P(1s^22 p^2)$ & $^1D(1s^22p^2)$ \\
\hline
SF-TD-BLYP\fnm[1] & (0.002) & 3.210(1.000) & 3.210(1.000) & 6.691(1.000) & 7.598(0.013)
& () & () & () & () & () \\
& (0.012) &2.998 (1.000) & () & () & () \\
SF-TD-B3LYP\fnm[1] & (0.001) & 3.332(1.839) & 4.275(0.164) & 6.864(1.000) & 7.762(0.006)
& () & () & () & () & () \\
& (0.009) & 3.205(1.000) & () & () & () \\
SF-TD-BH\&HLYP\fnm[1] & (0.000) & 2.874(1.981) & 4.922(0.023) & 7.112(1.000) & 8.188(0.002)
& () & () & () & () & () \\
& (0.005) & 2.799(1.976) & () & () & () \\
SF-CIS\fnm[2] & (0.002) & 2.111(2.000) & 6.036(0.014) & 7.480(1.000) & 8.945(0.006)
& () & () & () & () & () \\
& (0.005) & 2.059(2.000) &5.580 (0.178) & () & () \\
SF-BSE@{\GOWO} & (0.004) & 2.399(1.999) & 6.191(0.023) & 7.792(1.000) & 9.373(0.013)
& (0.021) & 2.286(1.994) & 5.181(0.187) & 6.481(1.000) & 7.195(0.719) \\
% SF-BSE@{\evGW} & (0.004) & 2.407(1.999) & 6.199(0.023) & 7.788(1.000) & 9.388(0.013) \\
% \alert{SF-BSE@{\qsGW}} & (0.102) & 2.532(2.000) & 6.241(1.873) & 7.668(1.000) & 9.417(0.217) \\
SF-dBSE@{\GOWO} & & 2.363 & 6.263 & 7.824 & 9.424
& & & & & \\
& & 2.177 & 5.380 & 6.806 & \\
% SF-dBSE@{\evGW} & & 2.369 & 6.273 & 7.820 & 9.441 \\
% SF-dBSE@{\qsGW} & & 2.335 & 6.317 & 7.689 & 9.470 \\
SF-ADC(2)-s & & 2.433 & 6.255 & 7.745 & 9.047
& & & & & \\
& & 2.415 & 5.360 & 6.431 & 7.206 \\
SF-ADC(2)-x & & 2.866 & 6.581 & 7.664 & 8.612
& & & & & \\
& & 2.692 & 5.256 & 6.411 & 7.098\\
SF-ADC(3) & & 2.863 & 6.579 & 7.658 & 8.618
& & & & & \\
& & & 5.221 & & \\
FCI\fnm[2] & (0.000) & 2.862(2.000) & 6.577(0.000) & 7.669(2.000) & 8.624(0.000)
& (0.000) & 2.718(2.000) & 5.277(0.000) & 6.450(2.000) & 7.114(0.000) \\
\end{tabular}