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Excited states of Ne isoelectronic ions: SAC-CI study

  • A.K. Das
  • M. Ehara
  • H. Nakatsuji

Abstract:

Excited states of the s, p, and d symmetries up to principal quantum number n = 4 are studied for the first eight members of Ne isoelectronic sequence (Ne to Cl7+) by the SAC-CI (symmetry-adapted-cluster configuration-interaction) method. The valence STO basis sets of Clementi et al. and the optimized excited STO are used by the STO-6G expansion method. The calculated transition energies agree well with the experimental values wherever available.

PACS. 31.50.+w Excited states – 31.25.Jf Electron-correlation calculations for atoms and ions: excited states – 34.60.+z Scattering in highly excited states (e.g. Rydberg states) 

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Copyright information

© EDP Sciences, Springer-Verlag, Società Italiana di Fisica 2001

Authors and Affiliations

  • A.K. Das
    • 1
  • M. Ehara
    • 1
  • H. Nakatsuji
    • 1
  1. 1.Department of Synthetic Chemistry and Biological Chemistry, Faculty of Engineering, Kyoto University, Kyoto 606-8501, JapanJP

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