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Electronic and atomic structure of simple-metal clusters: Beyond the spherical jellium model

  • 4. Structure and Excitation
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Nuclear Physics Concepts in the Study of Atomic Cluster Physics

Part of the book series: Lecture Notes in Physics ((LNP,volume 404))

Abstract

The ground-state atomic and electronic structure of simple-metal clusters is studied by minimizing the total cluster energy using the density functional formalism. The geometrical structure of the cluster is taken into account in an approximate way by replacing the total (three-dimensional) external potential of the ions by its spherical average around the cluster center when solving the Kohn-Sham equations of density functional theory. When combined with the technique of simulated annealing to find the global minimum in the energy hypersurface, the procedure represents an approximate but very effective approach beyond the spherical jellium model for studying atomic and electronic shell effects, form-isomers and cluster stability. Results are shown for Na- and Cs-clusters.

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Author information

Authors and Affiliations

  1. Fachbereich Physik, Universität Osnabrück, W-4500, Osnabrück, Germany

    G. Borstel & U. Lammers

  2. Departamento de Física Moderna, Universidad de Cantabria, Santander, Spain

    A. Mañanes

  3. Universidad de Valladolid Valladolid, Spain

    J. A. Alonso

Authors
  1. G. Borstel
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  2. U. Lammers
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  3. A. Mañanes
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  4. J. A. Alonso
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Editor information

Rüdiger Schmidt Hans O. Lutz Reiner Dreizler

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© 1992 Springer-Verlag

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Borstel, G., Lammers, U., Mañanes, A., Alonso, J.A. (1992). Electronic and atomic structure of simple-metal clusters: Beyond the spherical jellium model. In: Schmidt, R., Lutz, H.O., Dreizler, R. (eds) Nuclear Physics Concepts in the Study of Atomic Cluster Physics. Lecture Notes in Physics, vol 404. Springer, Berlin, Heidelberg. https://doi.org/10.1007/3-540-55625-7_36

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  • DOI: https://doi.org/10.1007/3-540-55625-7_36

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-55625-1

  • Online ISBN: 978-3-540-47264-3

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