PW6B95-NWCHEM

FUNCTIONAL NAME: PW6B95-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


The functional is a HYBRID functional


DESCRIPTION: Mixture of PW91 with BC95 from Zhao and Truhlar. NWChem variant.




REFERENCES


Y. Zhao and D. G. Truhlar., J. Phys. Chem. A 109, 5656 (2005)

DOI: 10.1021/jp050536c