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
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CAM-B3LYP | CAM-B3LYP Hyb-GGA Exchange-Correlation Functional | Y | — | 0.330000 | 0.190000 | — | — | — | — | —
CAM-B3LYP-D3BJ | CAM-B3LYP-d3bj Hyb-GGA Exchange-Correlation Functional | Y | — | 0.330000 | 0.190000 | — | — | — | Y |
HJS-B88 | HJS-B88 Hyb-GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | — | —
HJS-B97X | HJS-B97X Hyb-GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | — | —
HJS-PBE | HJS-PBE Hyb-GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | — | —
HJS-PBE-SOL | HJS-PBE-SOL Hyb-GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | — | —
HSE03 | HSE03 Hyb-GGA Exchange-Correlation Functional | Y | — | 0.106066 | 0.250000 | — | — | — | — | —
HSE03-D3BJ | HSE03-d3bj Hyb-GGA Exchange-Correlation Functional | Y | — | 0.106066 | 0.250000 | — | — | — | Y |
HSE06 | HSE06 Hyb-GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | — | —
HSE06-D3BJ | HSE06-d3bj Hyb-GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | Y |
LC-VV10 | LC-VV10 GGA Exchange-Correlation Functional | Y | — | 0.450000 | — | — | — | — | — | —
LRC-WPBE | LRC-WPBE GGA Exchange-Correlation Functional | Y | — | 0.300000 | — | — | — | — | — | —
LRC-WPBEH | LRC-wPBEh Hyb-GGA Exchange-Correlation Functional | Y | — | 0.200000 | 0.200000 | — | — | — | — | —
M11 | M11 Meta-GGA XC Functional | Y | Y | 0.250000 | 0.428000 | — | — | — | — | —
M11-D3BJ | M11 Meta-GGA XC Functional | Y | Y | 0.250000 | 0.428000 | — | — | — | Y |
MN12-SX | MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional | Y | Y | 0.110000 | 0.250000 | — | — | — | — | —
MN12-SX-D3BJ | MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional | Y | Y | 0.110000 | 0.250000 | — | — | — | Y |
N12-SX | N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | — | —
N12-SX-D3BJ | N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional | Y | — | 0.110000 | 0.250000 | — | — | — | Y |
TUNED-CAM-B3LYP | TUNED-CAM-B3LYP Hyb-GGA Exchange-Correlation Functional | Y | — | 0.150000 | 0.079900 | — | — | — | — | —
WB97 | wB97 GGA Exchange-Correlation Functional | Y | — | 0.400000 | — | — | — | — | — | —
WB97M-D3BJ | wB97M-V with D3(BJ) instead of VV10 dispersion | Y | Y | 0.300000 | 0.150000 | — | — | — | Y |
WB97M-V | wB97M-V Hyb-GGA Exchange-Correlation Functional | Y | Y | 0.300000 | 0.150000 | — | — | — | — | —
WB97X | wB97X Hyb-GGA Exchange-Correlation Functional | Y | — | 0.300000 | 0.157706 | — | — | — | — | —
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 |
WB97X-V | wB97X-V Hyb-GGA Exchange-Correlation Functional | Y | — | 0.300000 | 0.167000 | — | — | — | — | —
WPBE | PBE SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | — | —
WPBE-D3BJ | PBE SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | Y |
WPBE-D3MBJ | PBE SR-XC Functional (HJS Model) | Y | — | 0.400000 | — | — | — | — | Y |
WPBE0 | PBE0 SR-XC Functional (HJS Model) | Y | — | 0.300000 | 0.250000 | — | — | — | — | —