New bounds for Morse clusters

Abstract

This paper presents new, simple arguments improving the lower bounds for the total energy and the minimal inter-particle distance in minimal energy atom cluster problems with interactions given by a Morse potential, where the atom separation problem is difficult due to the finite energy at zero atom separation. Apart from being sharper than previously known bounds, they also apply for a wider range ρ ≥ 4.967 of the parameter in the Morse potential. Most results also hold for more general pair potentials. © 2007 Springer Science+Business Media, Inc.