BOES-6

FUNCTIONAL NAME: BOES-6


This is a KINETIC ENERGY Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: Adamo & Barone modification to PBE. Machine Learned Interatomic Potentials




REFERENCES


C. Adamo and V. Barone., J. Chem. Phys. 116, 5933 (2002)

DOI: 10.1063/1.1458927