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Dynamics of Molecular Photoionization Processes

Lynch, D. L. and McKoy, V. and Lucchese, R. R. (1984) Dynamics of Molecular Photoionization Processes. In: Resonances in Electron-Molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics. ACS Symposium Series. No.263. American Chemical Society , Washington, DC, pp. 89-112. ISBN 0-8412-0865-4.

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Increasing amounts of data have shown that shape resonances play an important role in molecular photoionization. These resonances can lead to significant deviations of the vibrational branching ratios from Franck-Condon predictions and to vibrational state dependence of the photoelectron asymmetry parameters. They are one-electron in nature and their properties are determined primarily by the molecular core potential. These features suggest that their role in photoionization should be studied using realistic molecular potentials and photoelectron continuum states. We will first discuss the relevant aspects of the method we have developed for studying the electronic Hartree-Fock continuum states needed in molecular photoionization. We will then present the results of applications of this approach to resonant photoionization in several molecules including N_2, CO, CO_2, C_2H_2, and C_2N_2. Our emphasis will be on a comparison of these results both with experimental data and other theoretical predictions.

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Additional Information:© 1984 American Chemical Society. RECEIVED June 11, 1984. This material is based upon research supported by the National Science Foundation under Grant No. CHE-8218166. The authors acknowledge computing support from the National Center for Atmospheric Research (NCAR) which is sponsored by the National Science Foundation. This is Contribution No. 7025 from the Arthur Amos Noyes Laboratory of Chemical Physics, California Institute of Technology.
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Caltech Arthur Amos Noyes Laboratory of Chemical Physics7025
Series Name:ACS Symposium Series
Issue or Number:263
Record Number:CaltechAUTHORS:20151110-102838552
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Official Citation:Dynamics of Molecular Photoionization Processes D. L. LYNCH, V. McKOY, and R. R. LUCCHESE Resonances. September 28, 1984, 89-112 DOI:10.1021/bk-1984-0263.ch006
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:62024
Deposited By: George Porter
Deposited On:10 Nov 2015 21:41
Last Modified:10 Nov 2021 22:56

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