B3LYP5-PSI4

FUNCTIONAL NAME: B3LYP5-PSI4


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: B3LYP with VWN functional 5 instead of RPA. Psi4 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