Minimal inter-particle distance in atom clusters

Authors:
Tamás Vinkó
Affiliations:
Research Group on Artificial Intelligence of the Hungarian Academy of Sciences and University of Szeged, Szeged, Hungary
Venue:
Acta Cybernetica
Year:
2005

Citing 8
Cited 2

Minimizing the Lennard-Jones potential function on a massively parallel computer

ICS '92 Proceedings of the 6th international conference on Supercomputing
An O(n) time hierarchical tree algorithm for computing force field in n-body simulations

Theoretical Computer Science
Fast Global Optimization of Difficult Lennard-Jones Clusters

Computational Optimization and Applications
Minimum Inter-Particle Distance at Global Minimizers of Lennard-Jones Clusters

Journal of Global Optimization
Equivalent formulations and necessary optimality conditions for the Lennard–Jones problem

Journal of Global Optimization
Minimal interatomic distance in Morse clusters

Journal of Global Optimization
Lower Bound for the Interatomic Distance in Lennard-Jones Clusters

Computational Optimization and Applications
Global Optimization of Morse Clusters by Potential Energy Transformations

INFORMS Journal on Computing

New results for molecular formation under pairwise potential minimization

Computational Optimization and Applications
Improved bounds for interatomic distance in Morse clusters

Operations Research Letters

Quantified Score

Hi-index	0.00

Visualization

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.