B3LYP3-PYSCF

FUNCTIONAL NAME: B3LYP3-PYSCF


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: B3LYP with VWN functional 3 instead of RPA. PySCF variant.




REFERENCES


P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch., J. Phys. Chem. 98, 11623 (1994)

DOI: 10.1021/j100096a001