Double-Hybrid 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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B2GPPLYP | B2GPPLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.650000 | — | 0.360000 | — | — | —
B2GPPLYP-D3BJ | B2GPPLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.650000 | — | 0.360000 | — | Y |
B2GPPLYP-NL | B2GPPLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.650000 | — | 0.360000 | — | — | —
B2PLYP | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | — | —
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 |
B2PLYP-NL | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | — | —
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 | DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) | Y | — | — | 0.750000 | — | 1.000000 | 0.600000 / 0.460000 | — | —
DSD-BLYP-D3BJ | DSD-BLYP-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional | Y | — | — | 0.710000 | — | 1.000000 | 0.400000 / 0.470000 | Y |
DSD-BLYP-NL | DSD-BLYP-NL (D3BJ,FC parameters) VV10 SCS Double Hybrid XC Functional | Y | — | — | 0.710000 | — | 1.000000 | 0.400000 / 0.470000 | — | —
DSD-PBEB95 | DSD-PBEB95 SCS Double Hybrid Meta-GGA XC Functional (not dispersion corrected) | Y | Y | — | 0.690000 | — | 1.000000 | 0.220000 / 0.480000 | — | —
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-PBEB95-NL | DSD-PBEB95-NL (D3BJ parameters) VV10 SCS Double Hybrid Meta-GGA XC Functional | Y | Y | — | 0.660000 | — | 1.000000 | 0.090000 / 0.460000 | — | —
DSD-PBEP86 | DSD-PBEP86 SCS Double Hybrid XC Functional (not dispersion corrected) | Y | — | — | 0.720000 | — | 1.000000 | 0.360000 / 0.510000 | — | —
DSD-PBEP86-D3BJ | DSD-PBEP86-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional | Y | — | — | 0.690000 | — | 1.000000 | 0.220000 / 0.520000 | Y |
DSD-PBEP86-NL | DSD-PBEP86-NL (D3BJ parameters) VV10 SCS Double Hybrid XC Functional | Y | — | — | 0.690000 | — | 1.000000 | 0.220000 / 0.520000 | — | —
DSD-PBEPBE | DSD-PBEPBE SCS Double Hybrid XC Functional (not dispersion corrected) | Y | — | — | 0.720000 | — | 1.000000 | 0.310000 / 0.540000 | — | —
DSD-PBEPBE-D3BJ | DSD-PBEPBE-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional | Y | — | — | 0.680000 | — | 1.000000 | 0.130000 / 0.550000 | Y |
DSD-PBEPBE-NL | DSD-PBEPBE-NL (D3BJ parameters) VV10 SCS Double Hybrid XC Functional | Y | — | — | 0.680000 | — | 1.000000 | 0.130000 / 0.550000 | — | —
PBE0-2 | PBE0-2 Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.793701 | — | 0.500000 | — | — | —
PBE0-DH | PBE0-DH Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.500000 | — | 0.125000 | — | Y |
PTPSS | PTPSS SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.375000 | — | —
PTPSS-D3BJ | PTPSS SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.375000 | Y |
PWPB95 | PWPB95 SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.269000 | — | —
PWPB95-D3BJ | PWPB95 SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.269000 | Y |
PWPB95-NL | PWPB95 SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.269000 | — | —