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Applications of Pair Density Analysis

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Localization and Delocalization in Quantum Chemistry

Part of the book series: Localization and Delocalization in Quantum Chemistry ((LDQC,volume 2))

Abstract

The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as well as the relations between separability and excitation.

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References

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Author information

Authors and Affiliations

  1. Centre de Mécanique Ondulatoire Appliquée, Paris, France

    R. Constanciel & L. Esnault

Authors
  1. R. Constanciel
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  2. L. Esnault
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Editor information

Editors and Affiliations

  1. Centre de Mécanique Ondulatoire Appliquée du C.N.R.S., 23, rue du Maroc, Paris 19ème, France

    Odilon Chalvet  & Raymond Daudel  & 

  2. Institut de Biologie Physico-Chimique, 13, rue Pierre et Marie Curie, Paris 5ème, France

    Simon Diner  & Jean Paul Malrieu  & 

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© 1976 D. Reidel Publishing Company, Dordrecht, Holland

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Constanciel, R., Esnault, L. (1976). Applications of Pair Density Analysis. In: Chalvet, O., Daudel, R., Diner, S., Malrieu, J.P. (eds) Localization and Delocalization in Quantum Chemistry. Localization and Delocalization in Quantum Chemistry, vol 2. Springer, Dordrecht. https://doi.org/10.1007/978-94-010-1456-4_1

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  • DOI: https://doi.org/10.1007/978-94-010-1456-4_1

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-1458-8

  • Online ISBN: 978-94-010-1456-4

  • eBook Packages: Springer Book Archive

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