MLX-X9

FUNCTIONAL NAME: MLX-X9


This is an EXCHANGE-CORRELATION Density Functional Theory functional


FUNCTIONAL FAMILY: GGA


DESCRIPTION: mu fixed from the semiclassical neutral atom MLIP




REFERENCES


L. A. Constantin, E. Fabiano, S. Laricchia, and F. Della Sala., Phys. Rev. Lett. 106, 186406 (2011)

DOI: 10.1103/PhysRevLett.106.186406