Minimal inter-particle distance in atom clusters

Vinkó, Tamás: Minimal inter-particle distance in atom clusters. In: Acta cybernetica, (17) 1. pp. 107-121. (2005)

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A general method for obtaining minimal interatomic distance in molecule conformation problems is introduced. The method can be applied to a wide family of potential energy functions having reasonable properties. Using this method new lower bounds for the minimal inter-particle distance for the optimal Lennard-Jones and Morse potential functions are derived which are independent from the number of atoms. Improved linear lower bounds for the optimal function values for Lennard-Jones and Morse potentials are also given.

Item Type: Article
Journal or Publication Title: Acta cybernetica
Date: 2005
Volume: 17
Number: 1
ISSN: 0324-721X
Page Range: pp. 107-121
Language: angol
Uncontrolled Keywords: Természettudomány
Additional Information: Bibliogr.: p. 120-121.; Abstract; Summary
Date Deposited: 2016. Oct. 15. 12:25
Last Modified: 2018. Jun. 05. 13:59

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