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Constrained anisotropic dipole oscillator strength distribution techniques, and reliable results for anisotropic and isotropic dipole molecular properties, with applications to H2 and N2

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Summary

Constrained anisotropic dipole oscillator strength distribution techniques are discussed and applied to obtain reliable results for a wide variety of the anisotropic and isotropic dipole properties of H2 and N2. These include the dipole oscillator strength sumsS k, k=2, 1, −1/2(−1/2) −2, −3, −4, ..., the logarithmic dipole sumsL k and mean excitation energiesI k, k=2(−1) − 2, and, as a function of wavelength, the dynamic polarizability and the associated anisotropy, the total depolarization ratio, the Rayleigh scattering cross section, and the Verdet constant. The anisotropic components of the DOSD for a molecule are obtained from a given recommended isotropic DOSD by using a constrained least squares procedure and a series of known anisotropic constraints. Assuming that sufficient input is available, the constrained DOSD approach used in this paper is the only available method for the reliable evaluation ofall the relevant anisotropic and isotropic dipole properties for a wide variety of atoms and molecules.

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Authors and Affiliations

  1. Department of Chemistry, University of Western Ontario, N6A 5B7, London, Ontario, Canada

    Ashok Kumar & William J. Meath

  2. Associated with the Centre for Interdisciplinary Studies in Chemical Physics, University of Western Ontario, Canada

    Ashok Kumar & William J. Meath

Authors
  1. Ashok Kumar
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  2. William J. Meath
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Additional information

This research was supported by a grant from the Natural Sciences and Engineering Research Council of Canada

On leave from Department of Physics, Meerut University, Meerut, India

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Kumar, A., Meath, W.J. Constrained anisotropic dipole oscillator strength distribution techniques, and reliable results for anisotropic and isotropic dipole molecular properties, with applications to H2 and N2 . Theoret. Chim. Acta 82, 131–152 (1992). https://doi.org/10.1007/BF01113134

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  • DOI: https://doi.org/10.1007/BF01113134

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