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| Main Authors: | , , , , , |
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| Format: | Preprint |
| Published: |
2025
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2507.16993 |
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| _version_ | 1866914031103639552 |
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| author | Mosnier, Jean-Paul Kennedy, Eugene T. Cubaynes, Denis Bizau, Jean-Marc Guilbaud, Segolene Carniato, Stephane |
| author_facet | Mosnier, Jean-Paul Kennedy, Eugene T. Cubaynes, Denis Bizau, Jean-Marc Guilbaud, Segolene Carniato, Stephane |
| contents | The absolute cross sections for the production of X2+ and X3+ ions following absorption of monochromatized SOLEIL synchrotron radiation by the HX+ hydride molecular ions (X = S,Cl) are presented as a function of photon energy in the region of the X 2p ionisation thresholds (180 eV and 220 eV for sulphur and chlorine, respectively). The experimental results are interpreted with the help of extensive ab initio density functional theory (DFT) and post-Hartree-Fock configuration interaction calculations including spin-orbit coupling to compute the absorption oscillator strengths of the X 2p core excitations to valence and Rydberg states. In order to account for all the experimental features,the calculations must include vibrational dynamics and spin-orbit coupling. Similar experimental data are also presented for the sulfanyumil H2S+ molecular ion. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2507_16993 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Ionic photofragmentation cross sections of the HS+ H2S+ and HCl+ molecular ions near the 2p threshold Mosnier, Jean-Paul Kennedy, Eugene T. Cubaynes, Denis Bizau, Jean-Marc Guilbaud, Segolene Carniato, Stephane Atomic Physics The absolute cross sections for the production of X2+ and X3+ ions following absorption of monochromatized SOLEIL synchrotron radiation by the HX+ hydride molecular ions (X = S,Cl) are presented as a function of photon energy in the region of the X 2p ionisation thresholds (180 eV and 220 eV for sulphur and chlorine, respectively). The experimental results are interpreted with the help of extensive ab initio density functional theory (DFT) and post-Hartree-Fock configuration interaction calculations including spin-orbit coupling to compute the absorption oscillator strengths of the X 2p core excitations to valence and Rydberg states. In order to account for all the experimental features,the calculations must include vibrational dynamics and spin-orbit coupling. Similar experimental data are also presented for the sulfanyumil H2S+ molecular ion. |
| title | Ionic photofragmentation cross sections of the HS+ H2S+ and HCl+ molecular ions near the 2p threshold |
| topic | Atomic Physics |
| url | https://arxiv.org/abs/2507.16993 |