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The Photoionization Time in π-Conjugated Molecular Systems

Mukherjee, D and Mukamel, S and Harbola, U (2020) The Photoionization Time in π-Conjugated Molecular Systems. In: Journal of Physical Chemistry A, 124 (28). pp. 5770-5774.

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Official URL: https://doi.org/10.1021/acs.jpca.0c05369


The photoionization time of C2H4 is calculated as a model for π-conjugated molecular systems. Analytical results are obtained using the Wigner phase delay, which is compared with energy-streaking measurements. We find that, although the ionization time averaged over nuclear configurations compares well in the two measures, the dependence on the nuclear configuration is different. Interference between different ionization pathways depends significantly on the molecular geometry and the ionizing electron energy and may lead to qualitative changes in the ionization time.

Item Type: Journal Article
Publication: Journal of Physical Chemistry A
Publisher: American Chemical Society
Additional Information: The copyright for this article belongs to American Chemical Society.
Keywords: Electron energy levels, Analytical results; Electron energies; Ionization pathways; Molecular geometries; Molecular systems; Nuclear configuration; Qualitative changes; Time-averaged, Photoionization, article; geometry; ionization
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 03 Feb 2023 05:05
Last Modified: 03 Feb 2023 05:05
URI: https://eprints.iisc.ac.in/id/eprint/79824

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