LGAP-NWCHEM

FUNCTIONAL NAME: LGAP-NWCHEM


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: LGAP by Constantin et al. NWChem variant.




REFERENCES


L. A. Constantin, E. Fabiano, S. Śmiga, and F. Della Sala., Phys. Rev. B 95, 115153 (2017)

DOI: 10.1103/PhysRevB.95.115153