BR89-EXPLICIT

FUNCTIONAL NAME: BR89-EXPLICIT


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: MGGA


DESCRIPTION: Becke-Roussel 89 with an explicit inversion of x(y), gamma = 0.8




REFERENCES


A. D. Becke and M. R. Roussel., Phys. Rev. A 39, 3761 (1989)

DOI: 10.1103/PhysRevA.39.3761


E. Proynov, Z. Gan, and J. Kong., Chem. Phys. Lett. 455, 103 - 109 (2008)

DOI: 10.1016/j.cplett.2008.02.039