KQQ-G5

FUNCTIONAL NAME: KQQ-G5


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: XLYP. AI functional.




REFERENCES


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

DOI: 10.1073/pnas.0308730100