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SAC-CI general-R study of the ionization spectrum of HCl

Theoretical Chemistry Accounts volume 102, pages 161–164 (1999)Cite this article

Abstract.

The valence ionization spectrum of HCl is studied by symmetry-adapted-cluster configuration-interaction general-R and SD-R methods. The general-R method describes well the peak positions and intensities of seven satellite lines observed below the double ionization threshold. The twinning shake-up states due to the (4σ)−1 state and the Rydberg states of HCl+ are correctly reproduced.

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Authors and Affiliations

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

    M. Ehara, J. Hasegawa & H. Nakatsuji

  2.  Dipartmento di Fisica, Universita di Catania, I-95129 Catania, Italy, , , , , , IT

    P. Tomasello

Authors
  1. M. Ehara
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  2. P. Tomasello
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  3. J. Hasegawa
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  4. H. Nakatsuji
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Received: 26 June 1998 / Accepted: 9 September 1998 / Published online: 8 February 1999

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Ehara, M., Tomasello, P., Hasegawa, J. et al. SAC-CI general-R study of the ionization spectrum of HCl. Theor Chem Acc 102, 161–164 (1999). https://doi.org/10.1007/s002140050486

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  • DOI: https://doi.org/10.1007/s002140050486

  • Key words: Symmetry-adapted-cluster configuration-interaction
  • HCl
  • Ionization spectrum
  • Electron correlation
  • Shake-up state