GE2-PYSCF

FUNCTIONAL NAME: GE2-PYSCF


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Second-order gradient expansion of the kinetic energy density. PySCF 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)