NUS-K8

FUNCTIONAL NAME: NUS-K8


This is a CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Becke 86 with modified gradient correction MLIP




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