relation: http://acta.bibl.u-szeged.hu/12756/
title: Minimal inter-particle distance in atom clusters
creator:  Vinkó Tamás
subject: 01. Természettudományok
subject: 01.02. Számítás- és információtudomány
description: 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.
date: 2005
type: Cikk, tanulmány, mű
type: NonPeerReviewed
format: part
language: hu
identifier: http://acta.bibl.u-szeged.hu/12756/1/Vinko_2005_ActaCybernetica.pdf
identifier:    Vinkó Tamás:   Minimal inter-particle distance in atom clusters.  In: Acta cybernetica, (17) 1.  pp. 107-121. (2005)   
language: eng