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
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B2PLYP | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | — | —
B2PLYP-D | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | -D2 | Grimme’s -D2 Dispersion Correction
B2PLYP-D3 | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | -D3ZERO | Grimme’s -D3 (zero-damping) Dispersion Correction
B2PLYP-D3BJ | B2PLYP Double Hybrid Exchange-Correlation Functional | Y | — | — | 0.530000 | — | 0.270000 | — | -D3BJ | Grimme’s -D3 (BJ-damping) Dispersion Correction
PBE0-2 | PBE0-2 Double Hydrid Exchange-Correlation Functional | Y | — | — | 0.793701 | — | 0.500000 | — | — | —