B86-MGC

FUNCTIONAL NAME: B86-MGC


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Becke 86 with modified gradient correction




REFERENCES


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

DOI: 10.1063/1.450025


A. D. Becke., J. Chem. Phys. 85, 7184 (1986)

DOI: 10.1063/1.451353