# DFT Functionals

## All Available

DFT functionals available in Psi4
Name | Description | GGA? | Meta? | X_LRC? | X_Hybrid? | C_LRC? | C_Hybrid? | C_SCS? SS/OS | Dispersion? | Dispersion Description
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
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
B3_X | Becke88 GGA Exchange (B3LYP weighting) | Y | — | — | — | — | — | — | — | —
B88_X | Becke88 GGA Exchange | Y | — | — | — | — | — | — | — | —
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 | — | — | — | — | —
B97-D | B97-D Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
B97-D3 | B97-D Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B97-D3BJ | B97-D Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
BLYP | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BLYP-D | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
BLYP-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BLYP-D3 | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
BLYP-D3BJ | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
BP86 | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BP86-D | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
BP86-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BP86-D3 | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
BP86-D3BJ | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
FT97 | FT97 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
FT97B_X | Filitov and Theil 1997 Exchange | Y | — | — | — | — | — | — | — | —
FT97_C | FT97 Correlation (Involves Ei functions) | Y | — | — | — | — | — | — | — | —
HCTH | HCTH Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH120 | HCTH120 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH120-D3 | HCTH120 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
HCTH120-D3BJ | HCTH120 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
HCTH147 | HCTH147 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH407 | HCTH407 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HF+D |  | — | — | — | 1.000000 | — | — | — | -DAS2010 | Podeszwa and Szalewicz Dispersion Correction
LYP_C | LYP Correlation | Y | — | — | — | — | — | — | — | —
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
P86_C | P86 Correlation (PZ81 LSDA + P86 GGA) | Y | — | — | — | — | — | — | — | —
PBE | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PBE-D | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
PBE-D1 | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
PBE-D3 | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE-D3BJ | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-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
PBEA_C | New Implementation of PBEC in wPBEc-sr. | Y | — | — | — | — | — | — | — | —
PBESOL_X | PBEsol GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
PBE_C | PBE Correlation | Y | — | — | — | — | — | — | — | —
PBE_X | PBE GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
PW91 | PW91 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PW91_C | PW91 Correlation | Y | — | — | — | — | — | — | — | —
PW91_X | PW91 Parameterized GGA Exchange | Y | — | — | — | — | — | — | — | —
PW92A_C | New Implementation of PW92C in wPBEc-sr. | Y | — | — | — | — | — | — | — | —
PW92_C |  | — | — | — | — | — | — | — | — | —
PZ81_C | PZ81 Correlation | — | — | — | — | — | — | — | — | —
RPBE_X | RPBE GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
SOGGA | Second Order GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
SOGGA_X | Second Order GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
SVWN | SVWN3 (RPA) LSDA Functional | — | — | — | — | — | — | — | — | —
S_X | Slater LSDA Exchange | — | — | — | — | — | — | — | — | —
VWN3RPA_C | VWN3 (RPA) LSDA Correlation | — | — | — | — | — | — | — | — | —
VWN3_C | VWN3 LSDA Correlation | — | — | — | — | — | — | — | — | —
VWN5RPA_C | VWN5 (RPA) LSDA Correlation | — | — | — | — | — | — | — | — | —
VWN5_C | VWN5 LSDA Correlation | — | — | — | — | — | — | — | — | —
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
wB88_X | B88 Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wB97 | Parameterized LRC B97 GGA XC Functional | Y | — | 0.400000 | — | — | — | — | — | —
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
wBLYP | BLYP SR-XC Functional (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPBE | PBE SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
wPBE0 | PBE0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBE2 | Double-Hybrid PBE LRC Functional | Y | — | 0.300000 | — | 0.500000 | — | — | — | —
wPBE_C | Short-Range PBE Correlation Functional | Y | — | — | — | 0.500000 | — | — | — | —
wPBE_X | PBE Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPBEsol | PBEsol SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
wPBEsol0 | PBEsol0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBEsol_X | PBEsol Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPW92_C | Short-Range PW92 Correlation Functional | Y | — | — | — | 0.300000 | — | — | — | —
wSVWN | LSDA SR-XC Functional | — | — | 0.300000 | — | — | — | — | — | —
wS_X | Slater Short-Range LSDA Exchange | — | — | 0.300000 | — | — | — | — | — | —

## GGA

GGA functionals available in Psi4
Name | Description | GGA? | Meta? | X_LRC? | X_Hybrid? | C_LRC? | C_Hybrid? | C_SCS? SS/OS | Dispersion? | Dispersion Description
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
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
B3_X | Becke88 GGA Exchange (B3LYP weighting) | Y | — | — | — | — | — | — | — | —
B88_X | Becke88 GGA Exchange | Y | — | — | — | — | — | — | — | —
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 | — | — | — | — | —
B97-D | B97-D Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
B97-D3 | B97-D Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B97-D3BJ | B97-D Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
BLYP | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BLYP-D | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
BLYP-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BLYP-D3 | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
BLYP-D3BJ | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
BP86 | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BP86-D | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
BP86-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | Y | — | — | 0.200000 | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BP86-D3 | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
BP86-D3BJ | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
FT97 | FT97 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
FT97B_X | Filitov and Theil 1997 Exchange | Y | — | — | — | — | — | — | — | —
FT97_C | FT97 Correlation (Involves Ei functions) | Y | — | — | — | — | — | — | — | —
HCTH | HCTH Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH120 | HCTH120 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH120-D3 | HCTH120 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
HCTH120-D3BJ | HCTH120 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
HCTH147 | HCTH147 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH407 | HCTH407 Pure-GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
LYP_C | LYP Correlation | Y | — | — | — | — | — | — | — | —
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
P86_C | P86 Correlation (PZ81 LSDA + P86 GGA) | Y | — | — | — | — | — | — | — | —
PBE | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PBE-D | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D2 | Grimme’s -D2 Dispersion Correction
PBE-D1 | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D1 | Grimme’s -D1 Dispersion Correction
PBE-D3 | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE-D3BJ | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | -D3BJ | Grimme’s -D3 (BJ-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
PBEA_C | New Implementation of PBEC in wPBEc-sr. | Y | — | — | — | — | — | — | — | —
PBESOL_X | PBEsol GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
PBE_C | PBE Correlation | Y | — | — | — | — | — | — | — | —
PBE_X | PBE GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
PW91 | PW91 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PW91_C | PW91 Correlation | Y | — | — | — | — | — | — | — | —
PW91_X | PW91 Parameterized GGA Exchange | Y | — | — | — | — | — | — | — | —
PW92A_C | New Implementation of PW92C in wPBEc-sr. | Y | — | — | — | — | — | — | — | —
RPBE_X | RPBE GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
SOGGA | Second Order GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
SOGGA_X | Second Order GGA Exchange Hole (Parameter Free) | Y | — | — | — | — | — | — | — | —
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
wB88_X | B88 Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wB97 | Parameterized LRC B97 GGA XC Functional | Y | — | 0.400000 | — | — | — | — | — | —
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
wBLYP | BLYP SR-XC Functional (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPBE | PBE SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
wPBE0 | PBE0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBE2 | Double-Hybrid PBE LRC Functional | Y | — | 0.300000 | — | 0.500000 | — | — | — | —
wPBE_C | Short-Range PBE Correlation Functional | Y | — | — | — | 0.500000 | — | — | — | —
wPBE_X | PBE Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPBEsol | PBEsol SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
wPBEsol0 | PBEsol0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBEsol_X | PBEsol Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPW92_C | Short-Range PW92 Correlation Functional | Y | — | — | — | 0.300000 | — | — | — | —

## Meta

Meta functionals available in Psi4
Name | Description | GGA? | Meta? | X_LRC? | X_Hybrid? | C_LRC? | C_Hybrid? | C_SCS? SS/OS | Dispersion? | Dispersion Description
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
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
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

## Long-Range Corrected

Long-Range-Corrected functionals available in Psi4
Name | Description | GGA? | Meta? | X_LRC? | X_Hybrid? | C_LRC? | C_Hybrid? | C_SCS? SS/OS | Dispersion? | Dispersion Description
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
wB88_X | B88 Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wB97 | Parameterized LRC B97 GGA XC Functional | Y | — | 0.400000 | — | — | — | — | — | —
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
wBLYP | BLYP SR-XC Functional (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPBE | PBE SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
wPBE0 | PBE0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBE2 | Double-Hybrid PBE LRC Functional | Y | — | 0.300000 | — | 0.500000 | — | — | — | —
wPBE_C | Short-Range PBE Correlation Functional | Y | — | — | — | 0.500000 | — | — | — | —
wPBE_X | PBE Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPBEsol | PBEsol SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
wPBEsol0 | PBEsol0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —
wPBEsol_X | PBEsol Short-Range GGA Exchange (HJS Model) | Y | — | 0.300000 | — | — | — | — | — | —
wPW92_C | Short-Range PW92 Correlation Functional | Y | — | — | — | 0.300000 | — | — | — | —
wSVWN | LSDA SR-XC Functional | — | — | 0.300000 | — | — | — | — | — | —
wS_X | Slater Short-Range LSDA Exchange | — | — | 0.300000 | — | — | — | — | — | —

## Hybrid

Hybrid functionals available in Psi4
Name | Description | GGA? | Meta? | X_LRC? | X_Hybrid? | C_LRC? | C_Hybrid? | C_SCS? SS/OS | Dispersion? | Dispersion Description
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
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 | — | — | — | — | —

## Double-Hybrid

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
--- | --- | --- | --- | --- | --- | --- | --- | --- | --- | ---
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
PBE0-2 | PBE0-2 Double Hydrid Exchange-Correlation Functional | Y | — | — | 0.793701 | — | 0.500000 | — | — | —

## SCS Double-Hybrid

## Dispersion-Corrected

Dispersion-Corrected functionals available in Psi4
Name | Description | S6 | S8 | SR6 | ALPHA6 | A1 | A2 | Dispersion? | Dispersion Description
--- | --- | --- | --- | --- | --- | --- | --- | --- | ---
B2PLYP-D | B2PLYP Double Hybrid Exchange-Correlation Functional | 0.55000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
B2PLYP-D3 | B2PLYP Double Hybrid Exchange-Correlation Functional | 0.64000 | 1.02200 | 1.42700 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B2PLYP-D3BJ | B2PLYP Double Hybrid Exchange-Correlation Functional | 0.64000 | 0.91470 | — | — | 0.30650 | 5.05700 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
B3LYP-CHG | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.00000 | — | — | 6.00000 | — | — | -CHG | Chai and Head-Gordon Dispersion Correction
B3LYP-D | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.05000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
B3LYP-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.05000 | — | — | 23.00000 | — | — | -D1 | Grimme’s -D1 Dispersion Correction
B3LYP-D3 | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.00000 | 1.70300 | 1.26100 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B3LYP-D3BJ | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.00000 | 1.98890 | — | — | 0.39810 | 4.42110 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
B97-D | B97-D Pure-GGA Exchange-Correlation Functional | 1.25000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
B97-D3 | B97-D Pure-GGA Exchange-Correlation Functional | 1.00000 | 0.90900 | 0.89200 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B97-D3BJ | B97-D Pure-GGA Exchange-Correlation Functional | 1.00000 | 2.26090 | — | — | 0.55450 | 3.22970 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
BLYP-D | BLYP GGA Exchange-Correlation Functional | 1.20000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
BLYP-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.20000 | — | — | 23.00000 | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BLYP-D3 | BLYP GGA Exchange-Correlation Functional | 1.00000 | 1.68200 | 1.09400 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
BLYP-D3BJ | BLYP GGA Exchange-Correlation Functional | 1.00000 | 2.69960 | — | — | 0.42980 | 4.23590 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
BP86-D | BP86 GGA Exchange-Correlation Functional | 1.05000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
BP86-D1 | B3LYP Hybrid-GGA Exchange-Correlation Functional | 1.05000 | — | — | 23.00000 | — | — | -D1 | Grimme’s -D1 Dispersion Correction
BP86-D3 | BP86 GGA Exchange-Correlation Functional | 1.00000 | 1.68300 | 1.13900 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
BP86-D3BJ | BP86 GGA Exchange-Correlation Functional | 1.00000 | 3.28220 | — | — | 0.39460 | 4.85160 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
HCTH120-D3 | HCTH120 Pure-GGA Exchange-Correlation Functional | 1.00000 | 1.20600 | 1.22100 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
HCTH120-D3BJ | HCTH120 Pure-GGA Exchange-Correlation Functional | 1.00000 | 1.08210 | — | — | 0.35630 | 4.33590 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
HF+D |  | 1.00000 | — | — | — | — | — | -DAS2010 | Podeszwa and Szalewicz Dispersion Correction
M05-2X-D3 | Heavily Parameterized Hybrid Meta-GGA XC Functional | 1.00000 | — | 1.41700 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
M05-D3 | Heavily Parameterized Hybrid Meta-GGA XC Functional | 1.00000 | 0.59500 | 1.37300 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE-D | PBE GGA Exchange-Correlation Functional | 0.75000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
PBE-D1 | PBE GGA Exchange-Correlation Functional | 0.75000 | — | — | 23.00000 | — | — | -D1 | Grimme’s -D1 Dispersion Correction
PBE-D3 | PBE GGA Exchange-Correlation Functional | 1.00000 | 0.72200 | 1.21700 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE-D3BJ | PBE GGA Exchange-Correlation Functional | 1.00000 | 0.78750 | — | — | 0.42890 | 4.44070 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
PBE0-D | PBE0 Hybrid GGA Exchange-Correlation Functional | 0.60000 | — | — | 20.00000 | — | — | -D2 | Grimme’s -D2 Dispersion Correction
PBE0-D3 | PBE0 Hybrid GGA Exchange-Correlation Functional | 1.00000 | 0.92800 | 1.28700 | 14.00000 | — | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
PBE0-D3BJ | PBE0 Hybrid GGA Exchange-Correlation Functional | 1.00000 | 1.21770 | — | — | 0.41450 | 4.85930 | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
dlDF+D | Dispersionless Hybrid Meta-GGA XC Functional | 1.00000 | — | — | — | — | — | -DAS2010 | Podeszwa and Szalewicz Dispersion Correction
dlDF+D09 | Dispersionless Hybrid Meta-GGA XC Functional | 1.00000 | — | — | — | — | — | -DAS2009 | Podeszwa and Szalewicz Dispersion Correction
wB97X-D | Parameterized Hybrid LRC B97 GGA XC Functional with Dispersion | 1.00000 | — | — | 6.00000 | — | — | -CHG | Chai and Head-Gordon Dispersion Correction