Be SF-TD-CAM-B3LYP

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EnzoMonino 2021-02-23 09:21:18 +01:00
parent 69052899fb
commit a3bbe50259

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@ -817,6 +817,7 @@ Finally, both SF-ADC(2)-x and SF-ADC(3) yield excitation energies very close to
\hline
SF-TD-BLYP\fnm[1] & (0.002) & 3.210(1.000) & 3.210(1.000) & 6.691(1.000) & 7.598(0.013) \\
SF-TD-B3LYP\fnm[1] & (0.001) & 3.332(1.839) & 4.275(0.164) & 6.864(1.000) & 7.762(0.006) \\
SF-TD-CAM-B3LYP\fnm[1] & (0.001) & 3.186(1.960) & 4.554(0.043) & 7.020(1.000) & 7.933(0.008) \\
SF-TD-BH\&HLYP\fnm[1] & (0.000) & 2.874(1.981) & 4.922(0.023) & 7.112(1.000) & 8.188(0.002) \\
SF-CIS\fnm[2] & (0.002) & 2.111(2.000) & 6.036(0.014) & 7.480(1.000) & 8.945(0.006) \\
SF-BSE@{\GOWO} & (0.004) & 2.399(1.999) & 6.191(0.023) & 7.792(1.000) & 9.373(0.013) \\