MK00B-PYSCF

FUNCTIONAL NAME: MK00B-PYSCF


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: Exchange for accurate virtual orbital energies (v. B). PySCF variant.




REFERENCES


F. R. Manby and P. J. Knowles., J. Chem. Phys. 112, 7002 (2000)

DOI: 10.1063/1.481298