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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B2PLYP | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | — | —
B2PLYP-D | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | -D2 | Grimme’s -D2 Dispersion Correction
B2PLYP-D3 | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B2PLYP-D3BJ | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
B3LYP | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | — | —
B3LYP-CHG | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -CHG | Chai and Head-Gordon Dispersion Correction
B3LYP-D | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
B3LYP-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
B3LYP-D3 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B3LYP-D3BJ | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
B97-0 | B97-0 Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.194300 | — | — | — | — | —
B97-1 | B97-1 Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.210000 | — | — | — | — | —
B97-2 | B97-2 Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.210000 | — | — | — | — | —
BLYP-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BP86-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
HF+D |  | — | — | — | 1.000000 | — | — | — | -DAS2010 | Podeszwa and Szalewicz Dispersion Correction
M05 | Heavily Parameterized Hybrid Meta-GGA XC Functional | Y | Y | — | 0.280000 | — | — | — | — | —
M05-2X | Heavily Parameterized Hybrid Meta-GGA XC Functional | Y | Y | — | 0.560000 | — | — | — | — | —
M05-2X-D3 | Heavily Parameterized Hybrid Meta-GGA XC Functional | Y | Y | — | 0.560000 | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
M05-D3 | Heavily Parameterized Hybrid Meta-GGA XC Functional | Y | Y | — | 0.280000 | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE0 | PBE0 Hybrid GGA Exchange-Correlation Functional | Y | — | — | 0.250000 | — | — | — | — | —
PBE0-2 | PBE0-2 Double Hydrid Exchange-Correlation Functional | Y | — | — | 0.793701 | — | 0.500000 | — | — | —
PBE0-D | PBE0 Hybrid GGA Exchange-Correlation Functional | Y | — | — | 0.250000 | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
PBE0-D3 | PBE0 Hybrid GGA Exchange-Correlation Functional | Y | — | — | 0.250000 | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE0-D3BJ | PBE0 Hybrid GGA Exchange-Correlation Functional | Y | — | — | 0.250000 | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
dlDF | Dispersionless Hybrid Meta-GGA XC Functional | Y | Y | — | 0.614413 | — | — | — | — | —
dlDF+D | Dispersionless Hybrid Meta-GGA XC Functional | Y | Y | — | 0.614413 | — | — | — | -DAS2010 | Podeszwa and Szalewicz Dispersion Correction
dlDF+D09 | Dispersionless Hybrid Meta-GGA XC Functional | Y | Y | — | 0.614413 | — | — | — | -DAS2009 | Podeszwa and Szalewicz Dispersion Correction
wB97X | Parameterized Hybrid LRC B97 GGA XC Functional | Y | — | 0.400000 | 0.157706 | — | — | — | — | —
wB97X-D | Parameterized Hybrid LRC B97 GGA XC Functional with Dispersion | Y | — | 0.200000 | 0.222036 | — | — | — | -CHG | Chai and Head-Gordon Dispersion Correction
wPBE0 | PBE0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBEsol0 | PBEsol0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —