BB1K-NWCHEM

FUNCTIONAL NAME: BB1K-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


The functional is a HYBRID functional


DESCRIPTION: Mixture of B88 with BC95 from Zhao and Truhlar. NWChem variant.




REFERENCES


Y. Zhao, B. J. Lynch, and D. G. Truhlar., J. Phys. Chem. A 108, 2715 (2004)

DOI: 10.1021/jp049908s