B86-NWCHEM

FUNCTIONAL NAME: B86-NWCHEM


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Becke 86. NWChem variant.




REFERENCES


A. D. Becke., J. Chem. Phys. 84, 4524 (1986)

DOI: 10.1063/1.450025