NCAP-GAUSSIAN

FUNCTIONAL NAME: NCAP-GAUSSIAN


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: NCAP exchange + P86 correlation. Gaussian variant.




REFERENCES


J. Carmona-Espíndola, J. L. Gázquez, A. Vela, and S. B. Trickey., J. Chem. Theory Comput. 15, 303-310 (2019)

DOI: 10.1021/acs.jctc.8b00998