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
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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 |
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 |
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 |