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Excited states of Ne isoelectronic ions: SAC-CI study

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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.

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Authors and Affiliations

  1. Department of Synthetic Chemistry and Biological Chemistry, Faculty of Engineering, Kyoto University, Kyoto 606-8501, Japan, , , , , , JP

    A.K. Das, M. Ehara & H. Nakatsuji

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  1. A.K. Das
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  2. M. Ehara
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  3. H. Nakatsuji
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Received 26 July 2000 and Received in final form 14 September 2000

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Das, A., Ehara, M. & Nakatsuji, H. Excited states of Ne isoelectronic ions: SAC-CI study. Eur. Phys. J. D 13, 195–200 (2001). https://doi.org/10.1007/s100530170266

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  • DOI: https://doi.org/10.1007/s100530170266

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