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Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization

Germann, Matthias and Willitsch, Stefan. (2016) Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization. Journal of Chemical Physics, 145 (4). 044314.

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Official URL: http://edoc.unibas.ch/53273/

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Abstract

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O2 reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ions produced by photoionization.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Chemische Physik (Willitsch)
UniBasel Contributors:Willitsch, Stefan
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:AIP Publishing
ISSN:0021-9606
e-ISSN:1089-7690
Note:Publication type according to Uni Basel Research Database: Journal article -- The final publication is available at AIP Publishing, see DOI link.
Language:English
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Last Modified:09 Oct 2017 07:46
Deposited On:27 Feb 2017 13:40

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