B97-1

FUNCTIONAL NAME: B97-1


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


The functional is a HYBRID functional


DESCRIPTION: Becke 97-1




REFERENCES


F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy., J. Chem. Phys. 109, 6264 (1998)

DOI: 10.1063/1.477267