Spin-orbit effects, electronic decay and breakdown phenomena in the photoelectron spectra of iodomethane
In this work we discuss the theoretical photo-double ionization spectrum of iodomethane which was obtained by the newly developed relativistic two-particle propagator and compare it to experimental data. For a correct interpretation of the spectral features in the outer valence region, spin-orbit ef...
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| Hauptverfasser: | , , |
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| Dokumenttyp: | Article (Journal) |
| Sprache: | Englisch |
| Veröffentlicht: |
28 August 2012
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| In: |
Chemical physics
Year: 2012, Jahrgang: 407, Pages: 39-45 |
| DOI: | 10.1016/j.chemphys.2012.08.015 |
| Online-Zugang: | Verlag, Volltext: http://dx.doi.org/10.1016/j.chemphys.2012.08.015 Verlag, Volltext: http://www.sciencedirect.com/science/article/pii/S0301010412003114 
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| Verfasserangaben: | Markus Pernpointner, J. Patrick Zobel, Elke Fasshauer, Amar N. Sil |
| Zusammenfassung: | In this work we discuss the theoretical photo-double ionization spectrum of iodomethane which was obtained by the newly developed relativistic two-particle propagator and compare it to experimental data. For a correct interpretation of the spectral features in the outer valence region, spin-orbit effects play a major role and induce new features to the spectra. Additionally, wide-energy range single and double ionization spectra of iodomethane were calculated revealing possible electronic decay reactions after high-energy primary ionization. In the low energy region of the single ionization spectrum pronounced breakdown was observed resulting in a highly correlated manifold which was characterized in detail via population analysis. |
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| Beschreibung: | Available online 28 August 2012 Gesehen am 18.07.2018 |
| Beschreibung: | Online Resource |
| DOI: | 10.1016/j.chemphys.2012.08.015 |