| 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-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 |
|
| 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-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 |
— |
— |
— |
— |
— |
— |
— |