B2PLYP-D |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3 |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3BJ |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3M |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MBJ |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B3LYP-D |
B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3 |
B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3BJ |
B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3M |
B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B3LYP-D3MBJ |
B3LYP Hybrid-GGA Exchange-Correlation Functional (VWN1-RPA) |
Y |
— |
— |
0.200000 |
— |
— |
— |
Y |
|
B97-D |
B97-D Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97-D3 |
B97-D Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97-D3BJ |
B97-D Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97-D3M |
B97-D Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
B97-D3MBJ |
B97-D Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3 |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3BJ |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3M |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BLYP-D3MBJ |
BLYP GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3 |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3BJ |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3M |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
BP86-D3MBJ |
BP86 GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH120-D3 |
HCTH120 Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HCTH120-D3BJ |
HCTH120 Pure-GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
HF-D3 |
Hartree Fock as Roothan prescribed |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
HF-D3BJ |
Hartree Fock as Roothan prescribed |
— |
— |
— |
1.000000 |
— |
— |
— |
Y |
|
M05-2X-D3 |
Heavily Parameterized Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.560000 |
— |
— |
— |
Y |
|
M05-D3 |
Heavily Parameterized Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PBE-D |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3 |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3BJ |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3M |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE-D3MBJ |
PBE GGA Exchange-Correlation Functional |
Y |
— |
— |
— |
— |
— |
— |
Y |
|
PBE0-D |
PBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3 |
PBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3BJ |
PBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3M |
PBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
PBE0-D3MBJ |
PBE0 Hybrid GGA Exchange-Correlation Functional |
Y |
— |
— |
0.250000 |
— |
— |
— |
Y |
|
wB97X-D |
Parameterized Hybrid LRC B97 GGA XC Functional with Dispersion |
Y |
— |
0.200000 |
0.222036 |
— |
— |
— |
Y |
|
wPBE-D3 |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
wPBE-D3BJ |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
wPBE-D3M |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|
wPBE-D3MBJ |
PBE SR-XC Functional (HJS Model) |
Y |
— |
0.400000 |
— |
— |
— |
— |
Y |
|