N12-PYSCF

FUNCTIONAL NAME: N12-PYSCF


This is an EXCHANGE Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Minnesota N12 exchange functional. PySCF variant.




REFERENCES


R. Peverati and D. G. Truhlar., J. Chem. Theory Comput. 8, 2310 (2012)

DOI: 10.1021/ct3002656