Abstract
The SAC-CI (symmetry-adapted-cluster configuration-interaction) general- R method was used to assign the satellite peaks of the ionization spectrum of CO 2. Outer-valence satellite peaks were assigned to the 2Π u and 2Π g states and inner-valence satellite peaks were assigned to the 2Σ u + and 2Σ g + states. The SAC-CI general -R method reproduces well the experimental spectrum in both the outer and inner-valence regions. On the other hand, while the SAC-CI SD -R method calculates the main peaks quite well, the shake-up states are by about 3 eV higher than those of the general- R method.
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