| DSD-BLYP |
DSD-BLYP Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.710000 |
— |
1.000000 |
0.430000 / 0.460000 |
-D2 |
Grimme’s -D2 Dispersion Correction |
| DSD-PBEP86 |
DSD-PBEP86 Dispersion-corrected SCS Double Hybrid XC Functional (opt. for -D2) |
Y |
— |
— |
0.680000 |
— |
1.000000 |
0.230000 / 0.510000 |
-D2 |
Grimme’s -D2 Dispersion Correction |
| DSD-PBEPBE |
DSD-PBEPBE Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.660000 |
— |
1.000000 |
0.120000 / 0.530000 |
-D2 |
Grimme’s -D2 Dispersion Correction |
| wB97X-2(LP) |
Double Hybrid LRC B97 GGA XC Functional (Large Pople parametrization) |
Y |
— |
0.300000 |
0.678792 |
— |
1.000000 |
0.581569 / 0.477992 |
— |
— |
| wB97X-2(TQZ) |
Double Hybrid LRC B97 GGA XC Functional (TQZ parametrization) |
Y |
— |
0.300000 |
0.636158 |
— |
1.000000 |
0.529319 / 0.447105 |
— |
— |
