PG1-QCHEM

FUNCTIONAL NAME: PG1-QCHEM


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: PG1 (Pauli-Gaussian) functional by Constantin, Fabiano, and Della Sala. QChem variant.




REFERENCES


L. A. Constantin, E. Fabiano, and F. Della Sala., J. Phys. Chem. Lett. 9, 4385-4390 (2018)

DOI: 10.1021/acs.jpclett.8b01926