B88M-NWCHEM

FUNCTIONAL NAME: B88M-NWCHEM


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Becke 88 reoptimized to be used with tau1. NWChem variant.




REFERENCES


E. Proynov, H. Chermette, and D. R. Salahub., J. Chem. Phys. 113, 10013-10027 (2000)

DOI: 10.1063/1.1321309