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 (10.1021/jz201170d) |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
— |
— |
M11-D3BJ2B |
M11 Meta-GGA XC Functional (10.1021/jz201170d) |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-D3BJATM |
M11 Meta-GGA XC Functional (10.1021/jz201170d) |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-D3ZERO2B |
M11 Meta-GGA XC Functional (10.1021/jz201170d) |
Y |
Y |
0.250000 |
0.428000 |
— |
— |
— |
Y |
|
M11-D3ZEROATM |
M11 Meta-GGA XC Functional (10.1021/jz201170d) |
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 |
— |
— |
— |
— |
— |
WB97X3C |
wB97X basied 3C composite method with a small basis set, gCP and D4 (10.1063/5.0133026) |
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 |
— |
— |
— |
— |
— |
