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Theoretical Chemistry Accounts

, Volume 102, Issue 1–6, pp 161–164 | Cite as

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

  • M. Ehara
  • P. Tomasello
  • J. Hasegawa
  • H. Nakatsuji
Regular 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.

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

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Copyright information

© Springer-Verlag Berlin Heidelberg 1999

Authors and Affiliations

  • M. Ehara
    • 1
  • P. Tomasello
    • 2
  • J. Hasegawa
    • 1
  • H. Nakatsuji
    • 1
  1. 1. Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering, Kyoto University, Kyoto 606-8501, JapanJP
  2. 2. Dipartmento di Fisica, Universita di Catania, I-95129 Catania, ItalyIT

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