FUNCTIONAL NAME: PW91-NWCHEM
This is an EXCHANGE Density Functional Theory functional
FUNCTIONAL FAMILY: GGA
DESCRIPTION: Perdew & Wang 91. NWChem variant.
REFERENCES
J. P. Perdew. In P. Ziesche and H. Eschrig, editors, Proceedings of the 75. WE-Heraeus-Seminar and 21st Annual International Symposium on Electronic Structure of Solids, 11. Berlin, 1991. Akademie Verlag.
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais., Phys. Rev. B 46, 6671 (1992)
DOI: 10.1103/PhysRevB.46.6671
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais., Phys. Rev. B 48, 4978 (1993)
DOI: 10.1103/PhysRevB.48.4978.2