Name |
Description |
GGA? |
Meta? |
X_LRC? |
X_Hybrid? |
C_LRC? |
C_Hybrid? |
C_SCS? SS/OS |
Dispersion? |
Dispersion Description |
|---|---|---|---|---|---|---|---|---|---|---|
B86B95 |
B86B95 Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
— |
— |
B88B95 |
B88B95 Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
— |
— |
B88B95-D3BJ2B |
B88B95-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B88B95-D3BJATM |
B88B95-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B88B95-D3ZERO2B |
B88B95-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
B88B95-D3ZEROATM |
B88B95-d3zeroatm 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 |
— |
— |
— |
— |
— |
BMK |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
— |
— |
BMK-D3BJ2B |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BMK-D3BJATM |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BMK-D3ZERO2B |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
BMK-D3ZEROATM |
BMK Hybrid Meta-GGA XC Functional for kinetics |
Y |
Y |
— |
0.420000 |
— |
— |
— |
Y |
|
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 (10.1063/1.2126975) |
Y |
Y |
— |
0.280000 |
— |
— |
— |
— |
— |
M05-2X |
Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.560000 |
— |
— |
— |
— |
— |
M05-2X-D3ZERO2B |
Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.560000 |
— |
— |
— |
Y |
|
M05-2X-D3ZEROATM |
Heavily Parameterized Hybrid M05-2X Meta-GGA XC Functional |
Y |
Y |
— |
0.560000 |
— |
— |
— |
Y |
|
M05-D3ZERO2B |
M05 Meta-GGA XC Functional (10.1063/1.2126975) |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
M05-D3ZEROATM |
M05 Meta-GGA XC Functional (10.1063/1.2126975) |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
M06 |
M06 Meta-GGA XC Functional (10.1007/s00214-007-0310-x) |
Y |
Y |
— |
0.270000 |
— |
— |
— |
— |
— |
M06-2X |
Hybrid M06-2X Meta-GGA XC Functional (10.1007/s00214-007-0310-x) |
Y |
Y |
— |
0.540000 |
— |
— |
— |
— |
— |
M06-2X-D3ZERO2B |
Hybrid M06-2X Meta-GGA XC Functional (10.1007/s00214-007-0310-x) |
Y |
Y |
— |
0.540000 |
— |
— |
— |
Y |
|
M06-2X-D3ZEROATM |
Hybrid M06-2X Meta-GGA XC Functional (10.1007/s00214-007-0310-x) |
Y |
Y |
— |
0.540000 |
— |
— |
— |
Y |
|
M06-D3ZERO2B |
M06 Meta-GGA XC Functional (10.1007/s00214-007-0310-x) |
Y |
Y |
— |
0.270000 |
— |
— |
— |
Y |
|
M06-D3ZEROATM |
M06 Meta-GGA XC Functional (10.1007/s00214-007-0310-x) |
Y |
Y |
— |
0.270000 |
— |
— |
— |
Y |
|
M06-HF |
Minnesota M06-HF Hybrid XC Functional (10.1021/jp066479k) |
Y |
Y |
— |
1.000000 |
— |
— |
— |
— |
— |
M06-HF-D3ZERO2B |
Minnesota M06-HF Hybrid XC Functional (10.1021/jp066479k) |
Y |
Y |
— |
1.000000 |
— |
— |
— |
Y |
|
M06-HF-D3ZEROATM |
Minnesota M06-HF Hybrid XC Functional (10.1021/jp066479k) |
Y |
Y |
— |
1.000000 |
— |
— |
— |
Y |
|
M06-L |
M06-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
M06-L-D3ZERO2B |
M06-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M06-L-D3ZEROATM |
M06-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M08-HX |
Minnesota M08-HX Hybrid XC Functional (10.1021/ct800246v) |
Y |
Y |
— |
0.522300 |
— |
— |
— |
— |
— |
M08-HX-D3ZERO2B |
Minnesota M08-HX Hybrid XC Functional (10.1021/ct800246v) |
Y |
Y |
— |
0.522300 |
— |
— |
— |
Y |
|
M08-HX-D3ZEROATM |
Minnesota M08-HX Hybrid XC Functional (10.1021/ct800246v) |
Y |
Y |
— |
0.522300 |
— |
— |
— |
Y |
|
M08-SO |
Minnesota M08-SO Hybrid XC Functional (10.1021/ct800246v) |
Y |
Y |
— |
0.567900 |
— |
— |
— |
— |
— |
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 |
|
M11-L |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
M11-L-D3BJ2B |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M11-L-D3BJATM |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M11-L-D3ZERO2B |
M11-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
M11-L-D3ZEROATM |
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-D3BJ2B |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-L-D3BJATM |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-L-D3ZERO2B |
MN12-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN12-L-D3ZEROATM |
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-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 |
|
MN15 |
MN15 Hybrid Meta-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
— |
— |
MN15-D3BJ2B |
MN15 Hybrid Meta-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MN15-D3BJATM |
MN15 Hybrid Meta-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MN15-L |
MN15-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
MN15-L-D3ZERO2B |
MN15-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MN15-L-D3ZEROATM |
MN15-L Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
MPW1B95 |
mPW1B95 Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
— |
— |
MPW1B95-D3BJ2B |
mPW1B95-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1B95-D3BJATM |
mPW1B95-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1B95-D3ZERO2B |
mPW1B95-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPW1B95-D3ZEROATM |
mPW1B95-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.310000 |
— |
— |
— |
Y |
|
MPWB1K |
mPWB1K Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
— |
— |
MPWB1K-D3BJ2B |
mPWB1K-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWB1K-D3BJATM |
mPWB1K-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWB1K-D3ZERO2B |
mPWB1K-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.440000 |
— |
— |
— |
Y |
|
MPWB1K-D3ZEROATM |
mPWB1K-d3zeroatm 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 |
— |
— |
— |
— |
— |
— |
— |
PKZB-D3ZERO2B |
PKZB Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
PKZB-D3ZEROATM |
PKZB Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
PTPSS |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
— |
— |
PTPSS-D3BJ2B |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PTPSS-D3BJATM |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PTPSS-D3ZERO2B |
PTPSS SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.375000 |
Y |
|
PTPSS-D3ZEROATM |
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-D3BJ2B |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW6B95-D3BJATM |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW6B95-D3ZERO2B |
PW6B95 Hybrid Meta-GGA XC Functional |
Y |
Y |
— |
0.280000 |
— |
— |
— |
Y |
|
PW6B95-D3ZEROATM |
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-D3BJ2B |
PWB6K-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWB6K-D3BJATM |
PWB6K-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWB6K-D3ZERO2B |
PWB6K-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.460000 |
— |
— |
— |
Y |
|
PWB6K-D3ZEROATM |
PWB6K-d3zeroatm 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-D3BJ2B |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
PWPB95-D3BJATM |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
PWPB95-D3ZERO2B |
PWPB95 SOS Double Hybrid XC Functional |
Y |
Y |
— |
0.500000 |
— |
1.000000 |
0.000000 / 0.269000 |
Y |
|
PWPB95-D3ZEROATM |
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 |
— |
— |
R2SCAN |
r2SCAN Meta-GGA XC Functional (0.1021/acs.jpclett.0c02405) |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
R2SCAN0 |
R2SCAN0 Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.250000 |
— |
— |
— |
— |
— |
R2SCAN50 |
R2SCAN50 Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.500000 |
— |
— |
— |
— |
— |
R2SCANH |
R2SCANh Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
— |
— |
REVM06-L |
Revised M06-L Meta-GGA XC Functional (10.1073/pnas.1705670114) |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
REVSCAN |
Revised SCAN Meta-GGA XC Functional (10.1021/acs.jctc.8b00072) |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
REVSCAN0 |
Revised SCAN0 Hybrid Meta-GGA XC Functional (10.1021/acs.jctc.8b00072) |
Y |
Y |
— |
0.250000 |
— |
— |
— |
— |
— |
REVTPSS |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
REVTPSS-D3BJ2B |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3BJATM |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3ZERO2B |
revised TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
REVTPSS-D3ZEROATM |
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-D3BJ2B |
revTPSSh-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3BJATM |
revTPSSh-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3ZERO2B |
revTPSSh-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
REVTPSSH-D3ZEROATM |
revTPSSh-d3zeroatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
SCAN |
SCAN Meta-GGA XC Functional (10.1103/PhysRevLett.115.036402) |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
SCAN-D3BJ2B |
SCAN Meta-GGA XC Functional (10.1103/PhysRevLett.115.036402) |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3BJATM |
SCAN Meta-GGA XC Functional (10.1103/PhysRevLett.115.036402) |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3ZERO2B |
SCAN Meta-GGA XC Functional (10.1103/PhysRevLett.115.036402) |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN-D3ZEROATM |
SCAN Meta-GGA XC Functional (10.1103/PhysRevLett.115.036402) |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
SCAN0 |
SCAN0 Hybrid Meta-GGA XC Functional (10.1063/1.4940734) |
Y |
Y |
— |
0.250000 |
— |
— |
— |
— |
— |
T-HCTH |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
T-HCTH-D3BJ2B |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTH-D3BJATM |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTH-D3ZERO2B |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTH-D3ZEROATM |
Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
T-HCTHH |
Hybrid Tau HCTH Meta-GGA XC Functional |
Y |
Y |
— |
0.150000 |
— |
— |
— |
— |
— |
TPSS |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
— |
— |
TPSS-D3BJ2B |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3BJATM |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3ZERO2B |
TPSS Meta-GGA XC Functional |
Y |
Y |
— |
— |
— |
— |
— |
Y |
|
TPSS-D3ZEROATM |
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-D3BJ2B |
TPSSh-d3bj2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3BJATM |
TPSSh-d3bjatm Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3ZERO2B |
TPSSh-d3zero2b Hyb-GGA Exchange-Correlation Functional |
Y |
Y |
— |
0.100000 |
— |
— |
— |
Y |
|
TPSSH-D3ZEROATM |
TPSSh-d3zeroatm 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 |
— |
— |
— |
— |
— |
— |
— |
