Meta 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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B86B95 | B86B95 Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.280000 | — | — | — | — | —
B88B95 | B88B95 Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.280000 | — | — | — | — | —
B88B95-D3BJ | B88B95-d3bj Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.280000 | — | — | — | Y |
B97M-D3BJ | B97M-V with D3(BJ) instead of VV10 dispersion | Y | Y | — | — | — | — | — | Y |
B97M-V | B97M-V GGA Exchange-Correlation Functional | Y | Y | — | — | — | — | — | — | —
BB1K | BB1K Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.420000 | — | — | — | — | —
DLDF | Dispersionless Hybrid Meta-GGA XC Functional | Y | Y | — | 0.614413 | — | — | — | — | —
DLDF+D09 | Dispersionless Hybrid Meta-GGA XC Functional | Y | Y | — | 0.614413 | — | — | — | — | —
DLDF+D10 | Dispersionless Hybrid Meta-GGA XC Functional | Y | Y | — | 0.614413 | — | — | — | — | —
DSD-PBEB95 | DSD-PBEB95 SCS Double Hybrid Meta-GGA XC Functional (not dispersion corrected) | Y | Y | — | 0.690000 | — | 1.000000 | 0.220000 / 0.480000 | — | —
DSD-PBEB95-D3BJ | DSD-PBEB95-D3BJ Dispersion-corrected SCS Double Hybrid Meta-GGA XC Functional | Y | Y | — | 0.660000 | — | 1.000000 | 0.090000 / 0.460000 | Y |
DSD-PBEB95-NL | DSD-PBEB95-NL (D3BJ parameters) VV10 SCS Double Hybrid Meta-GGA XC Functional | Y | Y | — | 0.660000 | — | 1.000000 | 0.090000 / 0.460000 | — | —
M05 | M05 Meta-GGA XC Functional | Y | Y | — | 0.280000 | — | — | — | — | —
M05-2X | Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional | Y | Y | — | 0.560000 | — | — | — | — | —
M06 | M06 Meta-GGA XC Functional | Y | Y | — | 0.270000 | — | — | — | — | —
M06-2X | Hybrid M06-2X Meta-GGA XC Functional | Y | Y | — | 0.540000 | — | — | — | — | —
M06-HF | Minnesota M06-HF Hybrid XC Functional | Y | Y | — | 1.000000 | — | — | — | — | —
M06-L | M06-L Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
M08-HX | Minnesota M08-HX Hybrid XC Functional | Y | Y | — | 0.522300 | — | — | — | — | —
M08-SO | Minnesota M08-SO Hybrid XC Functional | Y | Y | — | 0.567900 | — | — | — | — | —
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 |
M11-L | M11-L Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
M11-L-D3BJ | M11-L Meta-GGA XC Functional | Y | Y | — | — | — | — | — | Y |
MGGA_MS0 | MGGA_MS0 Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
MGGA_MS1 | MGGA_MS1 Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
MGGA_MS2 | MGGA_MS2 Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
MGGA_MS2H | MGGA_MS2h Hybrid Meta-GGA XC Functional | Y | Y | — | 0.090000 | — | — | — | — | —
MGGA_MVS | MGGA_MVS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
MGGA_MVSH | MGGA_MV2h Hybrid Meta-GGA XC Functional | Y | Y | — | 0.250000 | — | — | — | — | —
MN12-L | MN12-L Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
MN12-L-D3BJ | MN12-L Meta-GGA XC Functional | Y | Y | — | — | — | — | — | 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 |
MN15 | MN15 Hybrid Meta-GGA Exchange-Correlation Functional | Y | Y | — | 0.440000 | — | — | — | — | —
MN15-D3BJ | MN15 Hybrid Meta-GGA Exchange-Correlation Functional | Y | Y | — | 0.440000 | — | — | — | Y |
MN15-L | MN15-L Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
MPW1B95 | mPW1B95 Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.310000 | — | — | — | — | —
MPW1B95-D3BJ | mPW1B95-d3bj Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.310000 | — | — | — | Y |
MPWB1K | mPWB1K Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.440000 | — | — | — | — | —
MPWB1K-D3BJ | mPWB1K-d3bj Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.440000 | — | — | — | Y |
OTPSS-D | OTPSS-D GGA Exchange-Correlation Functional | Y | Y | — | — | — | — | — | Y |
PKZB | PKZB Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
PTPSS | PTPSS SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.375000 | — | —
PTPSS-D3BJ | PTPSS SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.375000 | Y |
PW6B95 | PW6B95 Hybrid Meta-GGA XC Functional | Y | Y | — | 0.280000 | — | — | — | — | —
PW6B95-D3BJ | PW6B95 Hybrid Meta-GGA XC Functional | Y | Y | — | 0.280000 | — | — | — | Y |
PW86B95 | PW86B95 Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.290000 | — | — | — | — | —
PWB6K | PWB6K Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.460000 | — | — | — | — | —
PWB6K-D3BJ | PWB6K-d3bj Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.460000 | — | — | — | Y |
PWPB95 | PWPB95 SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.269000 | — | —
PWPB95-D3BJ | PWPB95 SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.269000 | Y |
PWPB95-NL | PWPB95 SOS Double Hybrid XC Functional | Y | Y | — | 0.500000 | — | 1.000000 | 0.000000 / 0.269000 | — | —
REVTPSS | revised TPSS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
REVTPSS-D3BJ | revised TPSS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | Y |
REVTPSS-NL | revised TPSS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
REVTPSSH | revTPSSh Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.100000 | — | — | — | — | —
REVTPSSH-D3BJ | revTPSSh-d3bj Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.100000 | — | — | — | Y |
TPSS | TPSS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
TPSS-D3BJ | TPSS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | Y |
TPSS-NL | TPSS Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
TPSSH | TPSSh Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.100000 | — | — | — | — | —
TPSSH-D3BJ | TPSSh-d3bj Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.100000 | — | — | — | Y |
TPSSH-NL | TPSSh-nl Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.100000 | — | — | — | — | —
TPSSLYP1W | TPSSLYP1W GGA Exchange-Correlation Functional | Y | Y | — | — | — | — | — | — | —
VSXC | VSXC Meta-GGA XC Functional | Y | Y | — | — | — | — | — | — | —
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 | — | — | — | — | —
X1B95 | X1B95 Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.300000 | — | — | — | — | —
XB1K | XB1K Hyb-GGA Exchange-Correlation Functional | Y | Y | — | 0.430000 | — | — | — | — | —
ZLP | ZLP GGA Exchange-Correlation Functional | Y | Y | — | — | — | — | — | — | —