Dispersion-Corrected functionals available in PSI4ΒΆ
Name Description GGA? Meta? X_LRC? X_Hybrid? C_LRC? C_Hybrid? C_SCS? SS/OS Dispersion? Dispersion Description
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