GE2-NWCHEM

FUNCTIONAL NAME: GE2-NWCHEM


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Second-order gradient expansion of the kinetic energy density. NWChem variant.




REFERENCES


A. S. Kompaneets and E. S. Pavlovskii., Zh. Eksp. Teor. Fiz. 31, 427 (1956)


D. A. Kirznits., Zh. Eksp. Teor. Fiz. 32, 115 (1957)