alexa New many-body potential for the bond order


Journal of Astrophysics & Aerospace Technology

Author(s): D G Pettifor

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An analytic many-body potential is derived for the bond order of 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.

This article was published in PHYSICAL REVIEW LETTERS and referenced in Journal of Astrophysics & Aerospace Technology

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