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Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals

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Abstract

The dipole polarizability of the fluoride ion, F−, is calculated using finite-field many-body perturbation theory. The use of electric-field-variant basis sets in such calculations is investigated. Scaling of the zero-order Hamiltonian and the formation of Padé approximants are considered. Empirical and theoretical estimates of the polarizability of F− are compared.

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  1. Department of Theoretical Chemistry, University of Oxford, 1, South Parks Road, OX1 3TG, Oxford, UK

    Stephen Wilson

  2. Institute of Organic Chemistry, Polish Academy of Sciences, Kasprzaka 44, PL-01-224, Warsaw 42, Poland

    Andrzej J. Sadlej

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Wilson, S., Sadlej, A.J. Finite-field many-body perturbation theory. Calculations of the dipole polarizability of the fluoride ion using electric-field-variant gaussian-type orbitals. Theoret. Chim. Acta 60, 19–39 (1981). https://doi.org/10.1007/BF00554384

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