MCML-NWCHEM

FUNCTIONAL NAME: MCML-NWCHEM


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: MCML exchange. NWChem variant.




REFERENCES


K. Brown, Y. Maimaiti, K. Trepte, T. Bligaard, and J. Voss., J. Comput. Chem. 42, 2004–2013 (2021)

DOI: 10.1002/jcc.26732