Morse potential energy minimization: Improved bounds for optimal configurations

Authors:
Bernardetta Addis;Werner Schachinger
Affiliations:
Dipartimento di Elettronica e Informazione, Politecnico di Milano, Milan, Italy 20133;Dept. of Statistics and Decision Support Systems, University of Vienna, Vienna, Austria 1210
Venue:
Computational Optimization and Applications
Year:
2010

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Abstract

We improve lower bounds on the minimal distance between two points of a minimum energy configuration w.r.t. the Morse potential. This is achieved by generalizing a method that was already applied to the Lennard-Jones potential in Schachinger et al. (Comput. Optim. Appl. 38:329---349, 2007), resulting in improvements of the currently best bounds known for 驴驴[4.967,15] both for minimal distance and for energy of optimal configurations.