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Field and field-gradient polarizabilities of H2O

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Abstract

Using a charge-perturbation approach, all components of the polarizability tensors α, β, A, B, and C for H2O have been evaluated at the SCF level and, with the exception of β and B, at the MC SCF level of approximation. This is the first such comprehensive evaluation of the electrical properties of water.

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Authors and Affiliations

  1. Department of Chemistry, University of Ottawa, K1N 9B4, Ottawa, Canada

    David M. Bishop & Janusz Pipin

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  1. David M. Bishop
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  2. Janusz Pipin
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Member of the Ottawa-Carleton Chemistry Institute

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Bishop, D.M., Pipin, J. Field and field-gradient polarizabilities of H2O. Theoret. Chim. Acta 71, 247–253 (1987). https://doi.org/10.1007/BF00529096

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  • DOI: https://doi.org/10.1007/BF00529096

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