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Spin-Component-Scaled Double-Hybrid functionals available in PSI4
Name Description GGA? Meta? X_LRC? X_Hybrid? C_LRC? C_Hybrid? C_SCS? SS/OS Dispersion? Dispersion Description
DSD-BLYP DSD-BLYP Dispersion-corrected SCS Double Hybrid XC Functional Y 0.710000 1.000000 0.430000 / 0.460000 -D2 Grimme’s -D2 Dispersion Correction
DSD-PBEP86 DSD-PBEP86 Dispersion-corrected SCS Double Hybrid XC Functional (opt. for -D2) Y 0.680000 1.000000 0.230000 / 0.510000 -D2 Grimme’s -D2 Dispersion Correction
DSD-PBEPBE DSD-PBEPBE Dispersion-corrected SCS Double Hybrid XC Functional Y 0.660000 1.000000 0.120000 / 0.530000 -D2 Grimme’s -D2 Dispersion Correction
wB97X-2(LP) Double Hybrid LRC B97 GGA XC Functional (Large Pople parametrization) Y 0.300000 0.678792 1.000000 0.581569 / 0.477992
wB97X-2(TQZ) Double Hybrid LRC B97 GGA XC Functional (TQZ parametrization) Y 0.300000 0.636158 1.000000 0.529319 / 0.447105

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