| Download | - View accepted manuscript: Time-resolved photoelectron spectra of CS2: Dynamics at conical intersections (PDF, 807 KiB)
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| Author | Search for: Wang, Kwanghsi; Search for: McKoy, Vincent; Search for: Hockett, Paul1; Search for: Schuurman, Michael S.1 |
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| Affiliation | - National Research Council of Canada. Security and Disruptive Technologies
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| Format | Text, Article |
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| Subject | Photoionization; Ab initio approach; Conical intersection; Energy dependent; Matrix elements; Photoelectron angular distributions; Photoelectron spectrum; Photoionization dynamics; Polyatomic molecules; Photoelectrons |
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| Abstract | We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS2. The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results with measured molecular-frame photoelectron angular distributions for CS2 demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules. |
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| Publication date | 2014-03-24 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21272899 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 1ce9da72-5ac4-43ea-9b41-dc50a3ce6a9b |
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| Record created | 2014-12-03 |
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| Record modified | 2020-06-04 |
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