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Complete error potential

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Abstract

The complete error potential is a function of electronic and nuclear coordinates which has to be added to the physical potential in order to obtain the eigenfunctions of the molecular Hamiltonian in an a priori specified approximation. This potential is essential for the error theory, in particular it furnishes a simple justification of the Born-Oppenheimer approximation. It is given as a sum of the electronic error potential and that of the intramolecular forces, whose importance is discussed.

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Authors and Affiliations

  1. Laboratoire de Mécanique Ondulatoire Appliquée, UFR Sciences Exactes et Naturelles, BP 347, F-51062, Reims Cedex, France

    A. Laforgue & P. Guérin

Authors
  1. A. Laforgue
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  2. P. Guérin
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Dedicated to Professor J. Koutecký on the occasion of his 65th birthday

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Laforgue, A., Guérin, P. Complete error potential. Theoret. Chim. Acta 74, 269–274 (1988). https://doi.org/10.1007/BF00530224

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  • DOI: https://doi.org/10.1007/BF00530224

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