B3LYPS

FUNCTIONAL NAME: B3LYPS


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: B3LYP*




REFERENCES


M. Reiher, O. Salomon, and B. A. Hess., Theor. Chem. Acc. 107, 48-55 (2001)

DOI: 10.1007/s00214-001-0300-3