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Sensitivity of the electronic-interaction parameters used in molecular calculations to correlation effects

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Abstract

The correlation corrections to the one-center Coulomb integrals are calculated for the5S(1s22s2p3) state of carbon, the4P(1s22s2p4) state of nitrogen and the3P(1s22s22p4) state of oxygen. The calculated results are compared with semiempirical values. A satisfactory agreement is found for all three atoms.

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Authors and Affiliations

  1. V. D. Kuznetsov Siberian Physicotechnical Institute, Tomsk State University, USSR

    V. S. Anikeev

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  1. V. S. Anikeev
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Translated from Izvestiya VUZ. Fizika, No. 3, pp. 119–122, March, 1970

In conclusion the author thanks his colleagues in the Theoretical Physics Laboratory and the Optics and Spectroscopy Laboratory, Siberian Physicotechnical Institute, for many fruitful discussions of these topics.

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Anikeev, V.S. Sensitivity of the electronic-interaction parameters used in molecular calculations to correlation effects. Soviet Physics Journal 13, 371–373 (1970). https://doi.org/10.1007/BF00818329

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  • DOI: https://doi.org/10.1007/BF00818329

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