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Title
| - High-Resolution Inner-Shell Photoabsorption and Dissociation of Ozone
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Abstract
| - The total-ion-yield (TIY) spectrum of ozone has been recorded in the K-edge region for the first time withhigh photon energy resolution and without significant O2 contamination. Spectral features have been clearlyobserved in the high energy region below the two ionization thresholds. The assignment for the core excitationprocesses from the “terminal” and “central” oxygen atoms, given for the first time in the whole spectralrange, is based on high level ab initio calculations. The QDPTCI (quasidegenerate perturbation theoryconfiguration interaction) theoretical approach provided an excitation energy pattern and photoabsorptionoscillator strengths that were found in good agreement with the experimental TIY spectrum. The decay dynamicsof the core excited resonant states is shown to be strongly dependent on the σ/π antibonding character of thevirtual MO involved in the excitation process.
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