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The Virtual Charge Model of a polarizable medium as a basis for Hückel calculations with the ω-technique

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Abstract

It is shown that the consideration of a strongly polarizable medium using the Virtual Charge Model (VCM) allows for the possibility of treating independently each electronic subsystem of a molecule by a Hückel-type ω-technique. The case of a finite polarizable environment can be treated by a first-order perturbation calculation.

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Authors and Affiliations

  1. Centre de Mécanique Ondulatoire Appliquée, 23, Rue du Maroc, F-75019, Paris, France

    Raymond Constanciel

  2. Université Pierre et Marie Curie, 4, Place Jussieu, F-75230, Paris, France

    Raymond Constanciel

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  1. Raymond Constanciel
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Constanciel, R. The Virtual Charge Model of a polarizable medium as a basis for Hückel calculations with the ω-technique. Theoret. Chim. Acta 54, 123–130 (1980). https://doi.org/10.1007/BF00554119

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  • DOI: https://doi.org/10.1007/BF00554119

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