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Pseudopotential and valence exchange in the multiple scattering method

  • Atomic and Molecular Physics
  • Published:
Acta Physica Hungarica

Abstract

Recently developed valence exchange potential and semiempirical pseudopotentials have been used in the Pseudo Potential Multiple Scattering Valence Exchange (PPMSVX) method to calculate the energy levels of the molecules CH4 and NH3. Results calculated by the new method presented here are in good agreement with the SCF MSXα values.

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Authors and Affiliations

  1. Institute of Theoretical Physics, Kossuth Lajos University, 4010, Debrecen, Hungary

    R. Gáspár & Á. Nagy

Authors
  1. R. Gáspár
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  2. Á. Nagy
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Dedicated to Prof. I. Kovács on his 70th birthday

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Gáspár, R., Nagy, Á. Pseudopotential and valence exchange in the multiple scattering method. Acta Physica Hungarica 55, 45–49 (1984). https://doi.org/10.1007/BF03155918

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  • DOI: https://doi.org/10.1007/BF03155918

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