FUNCTIONAL NAME: MPWKCIS1K-PYSCF
This is an EXCHANGE-CORRELATION Density Functional Theory functional
FUNCTIONAL FAMILY: MGGA
The functional is a HYBRID functional
DESCRIPTION: MPWKCIS1K for barrier heights. PySCF variant.
REFERENCES
Y. Zhao, N. González-García, and D. G. Truhlar., J. Phys. Chem. A 109, 2012-2018 (2005)
DOI: 10.1021/jp045141s