PBEH-NWCHEM

FUNCTIONAL NAME: PBEH-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: PBEH (PBE0). NWChem variant.




REFERENCES


C. Adamo and V. Barone., J. Chem. Phys. 110, 6158 (1999)

DOI: 10.1063/1.478522


M. Ernzerhof and G. E. Scuseria., J. Chem. Phys. 110, 5029 (1999)

DOI: 10.1063/1.478401