MPWB1K-PYSCF

FUNCTIONAL NAME: MPWB1K-PYSCF


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


The functional is a HYBRID functional


DESCRIPTION: Mixture of mPW91 with BC95 for kinetics. PySCF variant.




REFERENCES


Y. Zhao and D. G. Truhlar., J. Phys. Chem. A 108, 6908 (2004)

DOI: 10.1021/jp048147q