Resonances in photoabsorption: Predissociation line shapes in the 3pπD{sup 1}Π{sup +}{sub u} ← Χ{sup 1}Σ{sub g}{sup +} system in H{sub 2}
The predissociation of the 3pπD{sup 1}Π{sub u}{sup +},v≥3,N=1, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorpt...
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| Veröffentlicht in: | The Journal of chemical physics 2014-08, Vol.141 (6) |
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| container_title | The Journal of chemical physics |
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| creator | Mezei, J. Zs Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France Schneider, I. F. Glass-Maujean, M. Jungen, Ch Department of Physics and Astronomy, University College London, London WC1E 6BT |
| description | The predissociation of the 3pπD{sup 1}Π{sub u}{sup +},v≥3,N=1, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally. |
| doi_str_mv | 10.1063/1.4891813 |
| format | Article |
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Zs ; Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France ; Schneider, I. F. ; Glass-Maujean, M. ; Jungen, Ch ; Department of Physics and Astronomy, University College London, London WC1E 6BT</creator><creatorcontrib>Mezei, J. Zs ; Laboratoire Ondes et Milieux Complexes, UMR-6294 CNRS and Université du Havre, 25, rue Philippe Lebon, BP 540, 76058, Le Havre France ; Schneider, I. F. ; Glass-Maujean, M. ; Jungen, Ch ; Department of Physics and Astronomy, University College London, London WC1E 6BT</creatorcontrib><description>The predissociation of the 3pπD{sup 1}Π{sub u}{sup +},v≥3,N=1, N = 2, and N = 3 levels of diatomic hydrogen is calculated by ab initio multichannel quantum defect theory combined with a R-matrix type approach that accounts for interfering predissociation and autoionization. The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. 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The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. 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The theory yields absorption line widths and shapes that are in good agreement with those observed in the high-resolution synchrotron vacuum-ultraviolet absorption spectra obtained by Dickenson et al. [J. Chem. Phys. 133, 144317 (2010)] at the DESIRS beamline of the SOLEIL synchrotron. The theory predicts further that many of the D state resonances with v ⩾ 6 exhibit a complex fine structure which cannot be modeled by the Fano profile formula and which has not yet been observed experimentally.</abstract><cop>United States</cop><doi>10.1063/1.4891813</doi></addata></record> |
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| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | ABSORPTION ABSORPTION SPECTRA FINE STRUCTURE HYDROGEN INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY PREDISSOCIATION RESONANCE SYNCHROTRONS |
| title | Resonances in photoabsorption: Predissociation line shapes in the 3pπD{sup 1}Π{sup +}{sub u} ← Χ{sup 1}Σ{sub g}{sup +} system in H{sub 2} |
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