B3PW91

FUNCTIONAL NAME: B3PW91


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: The original (ACM, B3PW91) hybrid of Becke




REFERENCES


A. D. Becke., J. Chem. Phys. 98, 5648 (1993)

DOI: 10.1063/1.464913