CAP-QCHEM

FUNCTIONAL NAME: CAP-QCHEM


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Correct Asymptotic Potential. QChem variant.




REFERENCES


J. Carmona-Espíndola, J. L. Gázquez, A. Vela, and S. B. Trickey., J. Chem. Phys. 142, 054105 (2015)

DOI: 10.1063/1.4906606