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

CAM-B3LYP

CAM-B3LYP Hyb-GGA Exchange-Correlation Functional

Y

0.330000

0.190000

CAM-B3LYP-D3BJ2B

CAM-B3LYP-d3bj2b Hyb-GGA Exchange-Correlation Functional

Y

0.330000

0.190000

Y

CAM-B3LYP-D3BJATM

CAM-B3LYP-d3bjatm Hyb-GGA Exchange-Correlation Functional

Y

0.330000

0.190000

Y

CAM-B3LYP-D3ZERO2B

CAM-B3LYP-d3zero2b Hyb-GGA Exchange-Correlation Functional

Y

0.330000

0.190000

Y

CAM-B3LYP-D3ZEROATM

CAM-B3LYP-d3zeroatm Hyb-GGA Exchange-Correlation Functional

Y

0.330000

0.190000

Y

CAM-LDA0

CAM-LDA0 Exchange-Correlation Functional

0.333333

0.250000

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-D3BJ2B

HSE03-d3bj2b Hyb-GGA Exchange-Correlation Functional

Y

0.106066

0.250000

Y

HSE03-D3BJATM

HSE03-d3bjatm Hyb-GGA Exchange-Correlation Functional

Y

0.106066

0.250000

Y

HSE03-D3ZERO2B

HSE03-d3zero2b Hyb-GGA Exchange-Correlation Functional

Y

0.106066

0.250000

Y

HSE03-D3ZEROATM

HSE03-d3zeroatm Hyb-GGA Exchange-Correlation Functional

Y

0.106066

0.250000

Y

HSE06

HSE06 Hyb-GGA Exchange-Correlation Functional

Y

0.110000

0.250000

HSE06-D3BJ2B

HSE06-d3bj2b Hyb-GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

HSE06-D3BJATM

HSE06-d3bjatm Hyb-GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

HSE06-D3ZERO2B

HSE06-d3zero2b Hyb-GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

HSE06-D3ZEROATM

HSE06-d3zeroatm Hyb-GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

LC-BOP

LC-BOP GGA Exchange-Correlation Functional

Y

0.470000

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-D3BJ2B

M11 Meta-GGA XC Functional

Y

Y

0.250000

0.428000

Y

M11-D3BJATM

M11 Meta-GGA XC Functional

Y

Y

0.250000

0.428000

Y

M11-D3ZERO2B

M11 Meta-GGA XC Functional

Y

Y

0.250000

0.428000

Y

M11-D3ZEROATM

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-D3BJ2B

MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional

Y

Y

0.110000

0.250000

Y

MN12-SX-D3BJATM

MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional

Y

Y

0.110000

0.250000

Y

MN12-SX-D3ZERO2B

MN12-SX Meta-GGA Hybrid Screened Exchange-Correlation Functional

Y

Y

0.110000

0.250000

Y

MN12-SX-D3ZEROATM

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-D3BJ2B

N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

N12-SX-D3BJATM

N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

N12-SX-D3ZERO2B

N12-SX Hybrid nonseparable GGA Exchange-Correlation Functional

Y

0.110000

0.250000

Y

N12-SX-D3ZEROATM

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-D3

wB97X-D3 Hyb-GGA Exchange-Correlation Functional

Y

0.250000

0.195728

Y

WB97X-D3BJ

wB97X-V with D3(BJ) instead of VV10 dispersion

Y

0.300000

0.167000

Y

WB97X-D3ZERO2B

wB97X-d3zero2b Hyb-GGA Exchange-Correlation Functional

Y

0.300000

0.157706

Y

WB97X-D3ZEROATM

wB97X-d3zeroatm Hyb-GGA Exchange-Correlation Functional

Y

0.300000

0.157706

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-D3BJ2B

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3BJATM

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3MBJ2B

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3MBJATM

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3MZERO2B

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3MZEROATM

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3ZERO2B

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE-D3ZEROATM

PBE SR-XC Functional (HJS Model)

Y

0.400000

Y

WPBE0

PBE0 SR-XC Functional (HJS Model)

Y

0.300000

0.250000