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A diatomics-in-molecules model for singly ionized neon clusters

  • Original Contributions
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Zeitschrift für Physik D Atoms, Molecules and Clusters

Abstract

A minimum-basis diatomics-in-molecules (DIM) model previously developed for singly-ionized argon clusters is applied to neon clusters, Ne + n , forn=3, 4,...,22. A search for the global minimum energy of each cluster yields structures with the positive charge localised on a dimer-ion. This appears to be due largely to the linear unsymmetrical configuration which the model finds for Ne +3 . For this reason, the structures of the clusters at their minimum energy are different from those for Ar + n computed with the same model. On the other hand, the behaviour of the charge distribution as a function of the geometrical configuration is similar to that for Ar + n , as are the overall shapes of the potential energy surfaces. The results are discussed in terms of the charge distributions and the ratios of equilibrium properties of the dimers and dimer-ions which constitute the input to the model.

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Author notes

  1. A. M. G. Ding

    Present address: Optisches Institut, Technische Universität, W-1000, Berlin 10, Germany

Authors and Affiliations

  1. Hahn-Meitner-Institut (Berlin) GmbH, Glienicker Strasse 100, W-1000, Berlin 39, Germany

    M. Fieber, A. M. G. Ding & P. J. Kuntz

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  1. M. Fieber
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  2. A. M. G. Ding
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  3. P. J. Kuntz
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Fieber, M., Ding, A.M.G. & Kuntz, P.J. A diatomics-in-molecules model for singly ionized neon clusters. Z Phys D - Atoms, Molecules and Clusters 23, 171–179 (1992). https://doi.org/10.1007/BF01436741

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  • DOI: https://doi.org/10.1007/BF01436741

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