RPW86-NWCHEM

FUNCTIONAL NAME: RPW86-NWCHEM


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Refitted Perdew & Wang 86. NWChem variant.




REFERENCES


É. D. Murray, K. Lee, and D. C. Langreth., J. Chem. Theory Comput. 5, 2754 (2009)

DOI: 10.1021/ct900365q