HAPBE-NWCHEM

FUNCTIONAL NAME: HAPBE-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: Hybrid based in APBE and zvPBEloc. NWChem variant.




REFERENCES


E. Fabiano, L. A. Constantin, P. Cortona, and F. Della Sala., J. Chem. Theory Comput. 11, 122-131 (2015)

DOI: 10.1021/ct500902p