MPW1K-PYSCF

FUNCTIONAL NAME: MPW1K-PYSCF


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: mPW1K. PySCF variant.




REFERENCES


B. J. Lynch, P. L. Fast, M. Harris, and D. G. Truhlar., J. Phys. Chem. A 104, 4811 (2000)

DOI: 10.1021/jp000497z