| B2PLYP |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
— |
— |
| B2PLYP-D |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
-D2 |
Grimme’s -D2 Dispersion Correction |
| B2PLYP-D3 |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
-D3ZERO |
Grimme’s -D3 (zero-damping) Dispersion Correction |
| B2PLYP-D3BJ |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
-D3BJ |
Grimme’s -D3 (BJ-damping) Dispersion Correction |
| 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 |
| PBE0-2 |
PBE0-2 Double Hydrid Exchange-Correlation Functional |
Y |
— |
— |
0.793701 |
— |
0.500000 |
— |
— |
— |
| 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 |
— |
— |
