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Improved bounds for interatomic distance in Morse clusters

bernardetta addis (addis***at***elet.polimi.it)
Werner Schachinger (Werner.Schachinger***at***univie.ac.at)

Abstract: We improve the best known lower bounds on the distance between two points of a Morse cluster in $\mathbb{R}^3$, with $\rho \in [4.967,15]$. Our method is a generalization of the one applied to the Lennard-Jones potential in~\cite{Schac}, and it also leads to improvements of lower bounds for the energy of a Morse cluster. Some of the numerical results have been announced in~\cite{AS}.

Keywords: minimum distance, Morse potential

Category 1: Global Optimization

Category 2: Global Optimization (Theory )

Citation: http://dx.doi.org/10.1016/j.orl.2009.03.003

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Entry Submitted: 10/02/2008
Entry Accepted: 10/14/2008
Entry Last Modified: 03/30/2009

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