Name |
Description |
GGA? |
Meta? |
X_LRC? |
X_Hybrid? |
C_LRC? |
C_Hybrid? |
C_SCS? SS/OS |
Dispersion? |
Dispersion Description |
|---|---|---|---|---|---|---|---|---|---|---|
B2GPPLYP |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
— |
— |
B2GPPLYP-D3BJ2B |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-D3BJATM |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-D3ZERO2B |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-D3ZEROATM |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
Y |
|
B2GPPLYP-NL |
B2GPPLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.650000 |
— |
0.360000 |
— |
— |
— |
B2PLYP |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
— |
— |
B2PLYP-D3BJ2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3BJATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MBJ2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MBJATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MZERO2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3MZEROATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3ZERO2B |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-D3ZEROATM |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
Y |
|
B2PLYP-NL |
B2PLYP Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.530000 |
— |
0.270000 |
— |
— |
— |
CORE-DSD-BLYP |
DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.370000 / 0.460000 |
Y |
|
CORE-DSD-BLYP-D3BJ2B |
DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.370000 / 0.460000 |
Y |
|
CORE-DSD-BLYP-D3BJATM |
DSD-BLYP SCS Double Hybrid XC Functional (full-core param.) |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.370000 / 0.460000 |
Y |
|
DSD-BLYP |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
— |
— |
DSD-BLYP-D3BJ |
DSD-BLYP-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.710000 |
— |
1.000000 |
0.400000 / 0.470000 |
Y |
|
DSD-BLYP-D3BJ2B |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-D3BJATM |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-D3ZERO2B |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-D3ZEROATM |
DSD-BLYP SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.750000 |
— |
1.000000 |
0.600000 / 0.460000 |
Y |
|
DSD-BLYP-NL |
DSD-BLYP-NL (D3BJ,FC parameters) VV10 SCS Double Hybrid XC Functional |
Y |
— |
— |
0.710000 |
— |
1.000000 |
0.400000 / 0.470000 |
— |
— |
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 |
— |
— |
DSD-PBEP86 |
DSD-PBEP86 SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.720000 |
— |
1.000000 |
0.360000 / 0.510000 |
— |
— |
DSD-PBEP86-D3BJ |
DSD-PBEP86-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.220000 / 0.520000 |
Y |
|
DSD-PBEP86-NL |
DSD-PBEP86-NL (D3BJ parameters) VV10 SCS Double Hybrid XC Functional |
Y |
— |
— |
0.690000 |
— |
1.000000 |
0.220000 / 0.520000 |
— |
— |
DSD-PBEPBE |
DSD-PBEPBE SCS Double Hybrid XC Functional (not dispersion corrected) |
Y |
— |
— |
0.720000 |
— |
1.000000 |
0.310000 / 0.540000 |
— |
— |
DSD-PBEPBE-D3BJ |
DSD-PBEPBE-D3BJ Dispersion-corrected SCS Double Hybrid XC Functional |
Y |
— |
— |
0.680000 |
— |
1.000000 |
0.130000 / 0.550000 |
Y |
|
DSD-PBEPBE-NL |
DSD-PBEPBE-NL (D3BJ parameters) VV10 SCS Double Hybrid XC Functional |
Y |
— |
— |
0.680000 |
— |
1.000000 |
0.130000 / 0.550000 |
— |
— |
MP2D |
2nd-order MP perturbation theory plus dispersion |
— |
— |
— |
1.000000 |
— |
1.000000 |
— |
— |
— |
MP2MP2 |
2nd-order MP perturbation theory |
— |
— |
— |
1.000000 |
— |
1.000000 |
— |
— |
— |
PBE0-2 |
PBE0-2 Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.793701 |
— |
0.500000 |
— |
— |
— |
PBE0-DH |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3BJ2B |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3BJATM |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3ZERO2B |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
Y |
|
PBE0-DH-D3ZEROATM |
PBE0-DH Double Hybrid Exchange-Correlation Functional |
Y |
— |
— |
0.500000 |
— |
0.125000 |
— |
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 |
|
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 |
— |
— |
