| WPBE-D3 |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
-D3ZERO |
Grimme’s -D3 (zero-damping) Dispersion Correction |
| WPBE-D3M |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
-D3MZERO |
Grimme’s -D3 (zero-damping, short-range refitted) Dispersion Correction |
| wB88_X |
B88 Short-Range GGA Exchange (HJS Model) |
Y |
— |
0.300000 |
— |
— |
— |
— |
— |
— |
| wB97 |
Parameterized LRC B97 GGA XC Functional |
Y |
— |
0.400000 |
— |
— |
— |
— |
— |
— |
| wB97X |
Parameterized Hybrid LRC B97 GGA XC Functional |
Y |
— |
0.400000 |
0.157706 |
— |
— |
— |
— |
— |
| wB97X-D |
Parameterized Hybrid LRC B97 GGA XC Functional with Dispersion |
Y |
— |
0.200000 |
0.222036 |
— |
— |
— |
-CHG |
Chai and Head-Gordon Dispersion Correction |
| wBLYP |
BLYP SR-XC Functional (HJS Model) |
Y |
— |
0.300000 |
— |
— |
— |
— |
— |
— |
| wPBE |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
— |
— |
| wPBE-D3BJ |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
-D3BJ |
Grimme’s -D3 (BJ-damping) Dispersion Correction |
| wPBE-D3MBJ |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
-D3MBJ |
Grimme’s -D3 (BJ-damping, short-range refitted) Dispersion Correction |
| wPBE0 |
PBE0 SR-XC Functional (HJS Model) |
Y |
— |
0.300000 |
0.250000 |
— |
— |
— |
— |
— |
| wPBE2 |
Double-Hybrid PBE LRC Functional |
Y |
— |
0.300000 |
— |
0.500000 |
— |
— |
— |
— |
| wPBE_C |
Short-Range PBE Correlation Functional |
Y |
— |
— |
— |
0.500000 |
— |
— |
— |
— |
| wPBE_X |
PBE Short-Range GGA Exchange (HJS Model) |
Y |
— |
0.300000 |
— |
— |
— |
— |
— |
— |
| wPBEsol |
PBEsol SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
— |
— |
| wPBEsol0 |
PBEsol0 SR-XC Functional (HJS Model) |
Y |
— |
0.300000 |
0.250000 |
— |
— |
— |
— |
— |
| wPBEsol_X |
PBEsol Short-Range GGA Exchange (HJS Model) |
Y |
— |
0.300000 |
— |
— |
— |
— |
— |
— |
| wPW92_C |
Short-Range PW92 Correlation Functional |
Y |
— |
— |
— |
0.300000 |
— |
— |
— |
— |
| wSVWN |
LSDA SR-XC Functional |
— |
— |
0.300000 |
— |
— |
— |
— |
— |
— |
| wS_X |
Slater Short-Range LSDA Exchange |
— |
— |
0.300000 |
— |
— |
— |
— |
— |
— |
