New many-body potential for the bond order

Journal Article · Mon Nov 27 00:00:00 EST 1989 · Physical Review Letters; (USA)

DOI:https://doi.org/10.1103/PhysRevLett.63.2480· OSTI ID:5094862

Pettifor, D G ^[1]

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1. Department of Mathematics, Imperial College of Science, Technology Medicine, London SW7 2BZ, England (GB)

An analytic many-body potential is derived for the bond order of {ital s}-valent systems which allows the influence of the local atomic environment on the bond strength to be determined directly. The importance of the three-membered- and four-membered-ring terms on the topology of four-atom clusters is demonstrated. The simplicity of the potential's analytic form will allow the much used embedded atom potentials to be extended to include explicit three-body and four-body terms.

• OSTI ID: 5094862
• Journal Information: Physical Review Letters; (USA), Vol. 63:22; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ION PAIRS
INTERATOMIC FORCES
ANALYTICAL SOLUTION
BINDING ENERGY
CHEMICAL BONDS
GREEN FUNCTION
MANY-BODY PROBLEM
PERTURBATION THEORY
POTENTIALS
SOLIDS
TOPOLOGY
ENERGY
FUNCTIONS
MATHEMATICS
640302* - Atomic
Molecular & Chemical Physics- Atomic & Molecular Properties & Theory