Theoretical study of shape resonances in the partial photoionization cross sections for the b 4Σ g − and B 2Σ g − states of O2
Using the single-center static-exchange approximation, the 3σg photoionization cross section of O2 is calculated. The R-averaged results are obtained for the production of O+2 in the b 4Σ−g and B 2Σ−g states. Shape resonances, a few electron volts wide, are found at 3 and 2.5 eV from the threshold f...
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Veröffentlicht in: | The Journal of chemical physics 1981-06, Vol.74 (12), p.6686-6691 |
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Hauptverfasser: | , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | Using the single-center static-exchange approximation, the 3σg photoionization cross section of O2 is calculated. The R-averaged results are obtained for the production of O+2 in the b 4Σ−g and B 2Σ−g states. Shape resonances, a few electron volts wide, are found at 3 and 2.5 eV from the threshold for these two states, respectively. We find reasonable agreement with the experimental cross sections for the B 2Σ−g state and with the β values for the b 4Σ−g state. For this last state, comparison between theory and experiment leads us to a possible interpretation of the data, but a definite answer can not be given without taking into account the autoionized Rydberg states. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.441123 |