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