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On the theory of chemisorption

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Zeitschrift für Physik

Abstract

A solution of the Anderson model for chemisorption including correlation effects is presented. The solution becomes exact in three limiting cases (largeU, smallU i.e. Hartree-Fock and the so-called symmetric strong coupling limit) of the intra atomic Coulomb repulsionU and the hopping termV. Excellent agreement of our approximation with Schrieffer's exact numerical results for the binding energy of a small model system is found. Our results for the binding energy and the charge of the adsorbate show a significant improvement over the Hartree-Fock approximation. The single particle spectral density of the H-F approximation turns out to be even qualitatively wrong in the largeU strong coupling limit.

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Authors and Affiliations

  1. Physikdepartment der TUM, München-Garching

    W. Brenig & K. Schönhammer

  2. Max-Planck-Institut für Festkörperforschung, Stuttgart

    W. Brenig

Authors
  1. W. Brenig
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  2. K. Schönhammer
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Additional information

The authors wish to thank L. Cederbaum, W. Domcke, W. Götze, E. Martinez, D. Menzel, H.J. Schirlitzki and H. Schmidt for interesting discussions.

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Brenig, W., Schönhammer, K. On the theory of chemisorption. Z. Physik 267, 201–208 (1974). https://doi.org/10.1007/BF01669221

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  • DOI: https://doi.org/10.1007/BF01669221

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