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SF-TD-CAM-B3LYP

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EnzoMonino 2021-02-23 09:03:39 +01:00
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Manuscript/sfBSE.tex
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@ -974,6 +974,7 @@ This issue does not appear at the SF-BSE, SF-ADC, and SF-EOM-SF-CCSD levels.
Method & $1\,{}^3B_{1g}$ & $1\,{}^1B_{1g}$ & $2\,{}^1A_{g}$ \\
\hline
SF-TD-B3LYP\fnm[1] & $1.750$ & $2.260$ & $4.094$ \\
SF-TD-CAM-B3LYP \fnm[1] & $1.790$ & $2.379$ & $4.238$ \\
SF-TD-BH\&HLYP\fnm[1] & $1.583$ & $2.813$ & $4.528$ \\
SF-CIS\fnm[2] & $1.521$ & $3.836$ & $5.499$ \\
EOM-SF-CCSD\fnm[3] & $1.654$ & $3.416$ & $4.360$ \\
@ -1006,6 +1007,7 @@ This issue does not appear at the SF-BSE, SF-ADC, and SF-EOM-SF-CCSD levels.
Method & $1\,{}^3A_{2g}$ & $2\,{}^1A_{1g}$ & $1\,{}^1B_{2g}$ \\
\hline
SF-TD-B3LYP\fnm[1] & $-0.020$ & $0.547$ & $0.486$ \\
SF-TD-CAM-B3LYP \fnm[1] & $0.012$ & $0.677$ & $0.595$ \\
SF-TD-BH\&HLYP\fnm[1] & $0.048$ & $1.465$ & $1.282$ \\
SF-CIS\fnm[2] & $0.317$ & $3.125$ & $2.650$ \\
EOM-SF-CCSD\fnm[3] & $0.369$ & $1.824$ & $2.143$ \\
@ -1014,7 +1016,7 @@ This issue does not appear at the SF-BSE, SF-ADC, and SF-EOM-SF-CCSD levels.
SF-ADC(2)-s\fnm[4] & $0.266$ & $1.664$ & $1.910$ \\
SF-ADC(2)-x\fnm[4] & $0.217$ & $1.123$ & $1.799$ \\
SF-ADC(3)\fnm[4] & $0.083$ & $1.621$ & $1.930$ \\
SF-BSE@{\GOWO}\fnm[1] & $-0.049$ & $1.189$ & $1.480$ \\
SF-BSE@{\GOWO}\fnm[1] & $-0.092$ & $1.189$ & $1.480$ \\
SF-dBSE@{\GOWO}\fnm[1] & $0.012$ & $1.507$ & $1.841$ \\
\end{tabular}
\end{ruledtabular}