We present a theoretical study of F-2 photoionization in the range 0-40 a.u. of photoelectron energy, where the undulatory behavior of the corresponding angle-integrated cross sections due to electron emission from equivalent centers is apparent. These double-slit type interferences are observed in both inner- and valence-shell ionization. We analyze confinement effects that appear at given energies when the electron is ejected parallel to the molecular axis. Since we account for the nuclear degrees of freedom, we evaluate and discuss the vibrationally resolved cross sections, including both dissociative and non-dissociative ionization channels. We also analyze the ratios between the latter cross sections and the relationship between the observed oscillations and the structure of the molecule. (C) 2013 Elsevier B.V. All rights reserved.

Dissociative and non-dissociative photoionization of molecular fluorine from inner and valence shells

Decleva P;
2014

Abstract

We present a theoretical study of F-2 photoionization in the range 0-40 a.u. of photoelectron energy, where the undulatory behavior of the corresponding angle-integrated cross sections due to electron emission from equivalent centers is apparent. These double-slit type interferences are observed in both inner- and valence-shell ionization. We analyze confinement effects that appear at given energies when the electron is ejected parallel to the molecular axis. Since we account for the nuclear degrees of freedom, we evaluate and discuss the vibrationally resolved cross sections, including both dissociative and non-dissociative ionization channels. We also analyze the ratios between the latter cross sections and the relationship between the observed oscillations and the structure of the molecule. (C) 2013 Elsevier B.V. All rights reserved.
2014
Istituto Officina dei Materiali - IOM -
Molecular fluorine
Photoionization
Cross section
Cohen-Fano
Static-exchange DFT
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/286180
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