APBEINT-NWCHEM

FUNCTIONAL NAME: APBEINT-NWCHEM


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: interpolated version of APBE. NWChem variant.




REFERENCES


S. Laricchia, E. Fabiano, L. A. Constantin, and F. Della Sala., J. Chem. Theory Comput. 7, 2439 (2011)

DOI: 10.1021/ct200382w