LP-NWCHEM

FUNCTIONAL NAME: LP-NWCHEM


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: LDA


DESCRIPTION: Lee and Parr Gaussian ansatz for the kinetic energy. NWChem variant.




REFERENCES


C. Lee and R. G. Parr., Phys. Rev. A 35, 2377 (1987)

DOI: 10.1103/PhysRevA.35.2377