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 |
B2PLYP-D3M |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
-D3MZERO |
Grimme’s -D3 (zero-damping, short-range refitted) Dispersion Correction |
B2PLYP-D3MBJ |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
-D3MBJ |
Grimme’s -D3 (BJ-damping, short-range refitted) Dispersion Correction |
PBE0-2 |
PBE0-2 Double Hydrid Exchange-Correlation Functional |
Y |
— |
— |
0.793701 |
— |
0.500000 |
— |
— |
— |