Dispersion-Corrected functionals available in PSI4
Name Description GGA? Meta? X_LRC? X_Hybrid? C_LRC? C_Hybrid? C_SCS? SS/OS Dispersion? Dispersion Description
B1LYP-D3BJ B1LYP-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.250000 Y  
B2GPPLYP-D3BJ B2GPPLYP Double Hybrid Exchange-Correlation Functional Y 0.650000 0.360000 Y  
B2PLYP-D3BJ 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-D3BJ B3LYP-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.200000 Y  
B3LYP-D3MBJ B3LYP-d3mbj Hyb-GGA Exchange-Correlation Functional Y 0.200000 Y  
B3P86-D3BJ B3P86-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.200000 Y  
B3PW91-D3BJ B3PW91-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.200000 Y  
B88B95-D3BJ B88B95-d3bj Hyb-GGA Exchange-Correlation Functional Y Y 0.280000 Y  
B97-1-D3BJ B97-1-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.210000 Y  
B97-2-D3BJ B97-2-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.210000 Y  
B97-D B97-D GGA Exchange-Correlation Functional Y Y  
B97-D3BJ B97-D3BJ GGA Exchange-Correlation Functional Y Y  
B97-D3MBJ B97-D3MBJ GGA Exchange-Correlation Functional Y Y  
B97M-D3BJ B97M-V with D3(BJ) instead of VV10 dispersion Y Y Y  
BLYP-D3BJ BLYP GGA Exchange-Correlation Functional Y Y  
BLYP-D3MBJ BLYP GGA Exchange-Correlation Functional Y Y  
BMK-D3BJ BMK Hybrid Meta-GGA XC Functional for kinetics Y Y 0.420000 Y  
BOP-D3BJ BOP GGA Exchange-Correlation Functional Y Y  
BP86-D3BJ BP86 GGA Exchange-Correlation Functional Y Y  
BP86-D3MBJ BP86 GGA Exchange-Correlation Functional Y Y  
CAM-B3LYP-D3BJ CAM-B3LYP-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.330000 0.190000 Y  
CORE-DSD-BLYP DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) Y 0.690000 1.000000 0.370000 / 0.460000 Y  
CORE-DSD-BLYP-D3BJ DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) Y 0.690000 1.000000 0.370000 / 0.460000 Y  
DSD-BLYP-D3BJ DSD-BLYP-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional Y 0.710000 1.000000 0.400000 / 0.470000 Y  
DSD-PBEB95-D3BJ DSD-PBEB95-D3BJ Dispersion-corrected SCS Double Hybrid Meta-GGA XC Functional Y Y 0.660000 1.000000 0.090000 / 0.460000 Y  
DSD-PBEP86-D3BJ DSD-PBEP86-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional Y 0.690000 1.000000 0.220000 / 0.520000 Y  
DSD-PBEPBE-D3BJ DSD-PBEPBE-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional Y 0.680000 1.000000 0.130000 / 0.550000 Y  
HCTH120-D3BJ HCTH120-d3bj GGA Exchange-Correlation Functional Y Y  
HCTH407-D3BJ HCTH407-d3bj GGA Exchange-Correlation Functional Y Y  
HF-D3BJ   1.000000 Y  
HSE03-D3BJ HSE03-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.106066 0.250000 Y  
HSE06-D3BJ HSE06-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.110000 0.250000 Y  
M11-D3BJ M11 Meta-GGA XC Functional Y Y 0.250000 0.428000 Y  
M11-L-D3BJ M11-L Meta-GGA XC Functional Y Y Y  
MN12-L-D3BJ MN12-L Meta-GGA XC Functional Y Y Y  
MN12-SX-D3BJ MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional Y Y 0.110000 0.250000 Y  
MN15-D3BJ MN15 Hybrid Meta-GGA Exchange-Correlation Functional Y Y 0.440000 Y  
MPW1B95-D3BJ mPW1B95-d3bj Hyb-GGA Exchange-Correlation Functional Y Y 0.310000 Y  
MPW1PW-D3BJ mPW1PW-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.250000 Y  
MPWB1K-D3BJ mPWB1K-d3bj Hyb-GGA Exchange-Correlation Functional Y Y 0.440000 Y  
N12-D3BJ N12 nonseparable GGA Exchange-Correlation Functional Y Y  
N12-SX-D3BJ N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional Y 0.110000 0.250000 Y  
O3LYP-D3BJ O3LYP-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.116100 Y  
OBLYP-D OBLYP-D GGA Exchange-Correlation Functional Y Y  
OPBE-D OPBE-D GGA Exchange-Correlation Functional Y Y  
OPWLYP-D OPWLYP-D GGA Exchange-Correlation Functional Y Y  
OTPSS-D OTPSS-D GGA Exchange-Correlation Functional Y Y Y  
PBE-D3BJ PBE GGA Exchange-Correlation Functional Y Y  
PBE-D3MBJ PBE GGA Exchange-Correlation Functional Y Y  
PBE0-D3BJ PBE0-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.250000 Y  
PBE0-D3MBJ PBE0-d3mbj Hyb-GGA Exchange-Correlation Functional Y 0.250000 Y  
PBE0-DH PBE0-DH Double Hybrid Exchange-Correlation Functional Y 0.500000 0.125000 Y  
PTPSS-D3BJ PTPSS SOS Double Hybrid XC Functional Y Y 0.500000 1.000000 0.000000 / 0.375000 Y  
PW6B95-D3BJ PW6B95 Hybrid Meta-GGA XC Functional Y Y 0.280000 Y  
PW91-D3BJ PW91 GGA Exchange-Correlation Functional Y Y  
PWB6K-D3BJ PWB6K-d3bj Hyb-GGA Exchange-Correlation Functional Y Y 0.460000 Y  
PWPB95-D3BJ PWPB95 SOS Double Hybrid XC Functional Y Y 0.500000 1.000000 0.000000 / 0.269000 Y  
REVPBE-D3BJ revPBE GGA Exchange-Correlation Functional Y Y  
REVPBE0-D3BJ revPBE0 Hybrid GGA Exchange-Correlation Functional Y 0.250000 Y  
REVTPSS-D3BJ revised TPSS Meta-GGA XC Functional Y Y Y  
REVTPSSH-D3BJ revTPSSh-d3bj Hyb-GGA Exchange-Correlation Functional Y Y 0.100000 Y  
RPBE-D3BJ RPBE GGA Exchange-Correlation Functional Y Y  
SCAN-D3BJ SCAN Meta-GGA XC Functional Y Y Y  
SOGGA11-X-D3BJ SOGGA11-X Hybrid Exchange-Correlation Functional Y 0.401500 Y  
TPSS-D3BJ TPSS Meta-GGA XC Functional Y Y Y  
TPSSH-D3BJ TPSSh-d3bj Hyb-GGA Exchange-Correlation Functional Y Y 0.100000 Y  
WB97M-D3BJ wB97M-V with D3(BJ) instead of VV10 dispersion Y Y 0.300000 0.150000 Y  
WB97X-D wB97X-D Hyb-GGA Exchange-Correlation Functional Y 0.200000 0.222036 Y  
WB97X-D3BJ wB97X-V with D3(BJ) instead of VV10 dispersion Y 0.300000 0.167000 Y  
WPBE-D3BJ PBE SR-XC Functional (HJS Model) Y 0.400000 Y  
WPBE-D3MBJ PBE SR-XC Functional (HJS Model) Y 0.400000 Y  
X3LYP-D3BJ X3LYP-d3bj Hyb-GGA Exchange-Correlation Functional Y 0.218000 Y  
XLYP-D3BJ XLYP-d3bj GGA Exchange-Correlation Functional Y Y