| B3LYP-D |
B3LYP Hybrid-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
-D2 |
Grimme’s -D2 Dispersion Correction |
| B3LYP5-D |
B3LYP5 Hybrid-GGA Exchange-Correlation Functional |
Y |
— |
— |
0.200000 |
— |
— |
-D2 |
Grimme’s -D2 Dispersion Correction |
| B97-D |
B97-D Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
-D2 |
Grimme’s -D2 Dispersion Correction |
| BLYP-D |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
-D2 |
Grimme’s -D2 Dispersion Correction |
| PBE-D |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
-D2 |
Grimme’s -D2 Dispersion Correction |
| wB97X-D |
Parameterized Hybrid LRC B97 GGA XC Functional with Dispersion |
Y |
— |
0.200000 |
0.222036 |
— |
— |
-CHG |
Chai and Head-Gordon Dispersion Correction |