Vinkó Tamás: Minimal inter-particle distance in atom clusters. In: Acta cybernetica, (17) 1. pp. 107-121. (2005)
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Abstract
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: | English |
| Place of Publication: | Szeged |
| Related URLs: | http://acta.bibl.u-szeged.hu/38519/ |
| Uncontrolled Keywords: | Számítástechnika, Kibernetika |
| Additional Information: | Bibliogr.: p. 120-121. ; összefoglalás angol nyelven |
| Subjects: | 01. Natural sciences 01. Natural sciences > 01.02. Computer and information sciences |
| Date Deposited: | 2016. Oct. 15. 12:25 |
| Last Modified: | 2022. Jun. 15. 13:06 |
| URI: | http://acta.bibl.u-szeged.hu/id/eprint/12756 |
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