X3LYP-QCHEM

FUNCTIONAL NAME: X3LYP-QCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: X3LYP. QChem variant.




REFERENCES


X. Xu and W. A. Goddard., Proc. Natl. Acad. Sci. U. S. A. 101, 2673 (2004)

DOI: 10.1073/pnas.0308730100