On the problem of fitting many-body potentials. I. the minimal maximum error scheme and the paradigm of metal systems

Journal of Chemical Physics

Volumn 110, Issue 18, 1999, Pages 8899-8911

  Lopez M J ^a  

^a ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FITTING PROCEDURE; FIVE PARAMETERS; MANY-BODY POTENTIALS; MAXIMUM ERROR; METAL SYSTEMS; SEMI-EMPIRICAL;

PHYSICAL CHEMISTRY; PHYSICS;

NICKEL;

EID: 0001649420     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478809     Document Type: Article

References (2)

1. A. Szabo and N. S. Ostlund, Modern Quantum Chemistry (McGraw-Hill, New York, 1989);
2. R. McWeeny, Methods of Molecular Quantum Mechanics (Academic, London, 1989).