GGA 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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B86BPBE | B86BPBE GGA Exchange-Correlation Functional | 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 |
B97-GGA1 | B97-GGA1 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BLYP | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BLYP-D3BJ | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
BLYP-D3MBJ | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
BLYP-NL | BLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BOP | BOP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BOP-D3BJ | BOP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
BP86 | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
BP86-D3BJ | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
BP86-D3MBJ | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
BP86-NL | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
EDF1 | EDF1 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
FT97 | FT97 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
GAM | GAM GGA Minessota Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH120 | HCTH120 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH120-D3BJ | HCTH120-d3bj GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
HCTH147 | HCTH147 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH407 | HCTH407 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH407-D3BJ | HCTH407-d3bj GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
HCTH407P | HCTH407P GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTH93 | HCTH93 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTHP14 | HCTHP14 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
HCTHP76 | HCTHP76 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
KT2 | KT2 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
MOHLYP | MOHLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
MOHLYP2 | MOHLYP2 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
MPWLYP1W | mPWLYP1W GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
MPWPW | mPWPW GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
N12 | N12 nonseparable GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
N12-D3BJ | N12 nonseparable GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
OBLYP-D | OBLYP-D GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
OP-PBE | BP86 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
OPBE-D | OPBE-D GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
OPWLYP-D | OPWLYP-D GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
PBE | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PBE-D3BJ | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
PBE-D3MBJ | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
PBE-NL | PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PBE1W | PBE1W GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PBELYP1W | PBELYP1W GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PW86PBE | PW86PBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PW91 | PW91 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
PW91-D3BJ | PW91 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
REVPBE | revPBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
REVPBE-D3BJ | revPBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
REVPBE-NL | revPBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
RPBE | RPBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
RPBE-D3BJ | RPBE GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |
SOGGA | SOGGA Exchange + PBE Correlation Functional | Y | — | — | — | — | — | — | — | —
SOGGA11 | SOGGA11 Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH-FC | TH-FC GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH-FCFO | TH-FCFO GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH-FCO | TH-FCO GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH-FL | TH-FL GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH1 | TH1 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH2 | TH2 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH3 | TH3 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
TH4 | TH4 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
VV10 | VV10 GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
XLYP | XLYP GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | — | —
XLYP-D3BJ | XLYP-d3bj GGA Exchange-Correlation Functional | Y | — | — | — | — | — | — | Y |