HFLYP-NWCHEM

FUNCTIONAL NAME: HFLYP-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: HF + LYP correlation. NWChem variant.




REFERENCES


C. Lee, W. Yang, and R. G. Parr., Phys. Rev. B 37, 785 (1988)

DOI: 10.1103/PhysRevB.37.785


B. Miehlich, A. Savin, H. Stoll, and H. Preuss., Chem. Phys. Lett. 157, 200 (1989)

DOI: 10.1016/0009-2614(89)87234-3