MPW1KCIS-PSI4

FUNCTIONAL NAME: MPW1KCIS-PSI4


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


The functional is a HYBRID functional


DESCRIPTION: MPW1KCIS for barrier heights. Psi4 variant.




REFERENCES


Y. Zhao, N. González-García, and D. G. Truhlar., J. Phys. Chem. A 109, 2012-2018 (2005)

DOI: 10.1021/jp045141s