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Relativistic and correlation corrections to electron affinities of alkali and halogen atoms

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Abstract

Electron affinities (EAs) of alkali and halogen atoms have been calculated using Hartree-Fock and Dirac-Hartree-Fock methods. Comparing the results with the experimental values, relativistic and correlation corrections to EAs have been estimated. In the case of alkalines correlation correction constitute 110%–120% of the experimental EA values. In the case of halogens the corresponding numbers are 30%–60%. Relativistic effects are negligibly small for alkalines but significant for halogens (40% of the experimental value for At).

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Author notes

  1. Mariusz Kłobukowski

    Present address: Department of Chemistry, University of Alberta, Edmonton, Canada

Authors and Affiliations

  1. Instytut Fizyki, Uniwersytet Mikołaja Kopernika, Grudziadzka 5, PL-87-100, Toruń, Poland

    Wiesław Nowak, Jacek Karwowski & Mariusz Kłobukowski

Authors
  1. Wiesław Nowak
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  2. Jacek Karwowski
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  3. Mariusz Kłobukowski
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Additional information

Based, in part, on MSc Thesis submitted by WN to the Institute of Physics, Nicholas Copernicus University.

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Nowak, W., Karwowski, J. & Kłobukowski, M. Relativistic and correlation corrections to electron affinities of alkali and halogen atoms. Theoret. Chim. Acta 63, 313–316 (1983). https://doi.org/10.1007/BF01151608

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  • DOI: https://doi.org/10.1007/BF01151608

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