TIH-NWCHEM

FUNCTIONAL NAME: TIH-NWCHEM


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: LDA


DESCRIPTION: Neural network LDA from Tozer et al. NWChem variant.




REFERENCES


D. J. Tozer, V. E. Ingamells, and N. C. Handy., J. Chem. Phys. 105, 9200-9213 (1996)

DOI: 10.1063/1.472753