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Morse potential energy minimization: Improved bounds for optimal configurations

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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 ρ∈[4.967,15] both for minimal distance and for energy of optimal configurations.

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References

  1. Addis, B., Schachinger, W.: Improved bounds for interatomic distance in Morse clusters. Technical Report 2008-07, ISDS, University of Vienna (2008)

  2. Schachinger, W., Addis, B., Bomze, I.M., Schoen, F.: New results for molecular formation under pairwise potential minimization. Comput. Optim. Appl. 38, 329–349 (2007)

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  3. Vinko, T., Neumaier, A.: New bounds for Morse clusters. J. Glob. Optim. 39, 483–494 (2007)

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Authors and Affiliations

  1. Dipartimento di Elettronica e Informazione, Politecnico di Milano, Viale Rimembranze di Lambrate, 14, 20133, Milan, Italy

    Bernardetta Addis

  2. Dept. of Statistics and Decision Support Systems, University of Vienna, Brünnerstr. 72, 1210, Vienna, Austria

    Werner Schachinger

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  1. Bernardetta Addis
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  2. Werner Schachinger
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Correspondence to Bernardetta Addis.

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Addis, B., Schachinger, W. Morse potential energy minimization: Improved bounds for optimal configurations. Comput Optim Appl 47, 129–131 (2010). https://doi.org/10.1007/s10589-008-9205-6

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  • DOI: https://doi.org/10.1007/s10589-008-9205-6

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