JES-S2

FUNCTIONAL NAME: JES-S2

This is an EXCHANGE Density Functional Theory functional

FUNCTIONAL FAMILY: GGA

DESCRIPTION: short-range part of the PBE (default w=0 gives PBEh). Machine Learned Potential.

REFERENCES

J. Heyd, G. E. Scuseria, and M. Ernzerhof., J. Chem. Phys. 118, 8207 (2003)

DOI: 10.1063/1.1564060

J. Heyd, G. E. Scuseria, and M. Ernzerhof., J. Chem. Phys. 124, 219906 (2006)

DOI: 10.1063/1.2204597

M. Ernzerhof and J. P. Perdew., J. Chem. Phys. 109, 3313 (1998)

DOI: 10.1063/1.476928

J. Heyd and G. E. Scuseria., J. Chem. Phys. 120, 7274 (2004)

DOI: 10.1063/1.1668634

T. M. Henderson, A. F. Izmaylov, G. Scalmani, and G. E. Scuseria., J. Chem. Phys. 131, 044108 (2009)

DOI: 10.1063/1.3185673