Journal Article PUBDB-2024-07324

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Molecule effect in inner shell sequential doubleionization

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2025
American Institute of Physics Melville, NY

The journal of chemical physics 163(2), 024303 () [10.1063/5.0265297]
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Abstract: We present a theoretical framework for the angular distribution of the two emitted photoelectrons in sequential inner shell two-photon double ionization (TPDI) of uniformly distributed molecules. As an example, we numerically calculated the sequential double ionization of the 4d shells of the iodine atom in CH$_3$I with a length and velocity gauge and obtained the corresponding angular anisotropy parameters. For comparison, we also compute the anisotropy parameters for atomic xenon. The anisotropy parameter for the second ionization of CH$_3$I is strongly influenced by the molecular structure, providing a sensitive probe for photoionization dynamics in polyatomic systems. This study provides a computational code for simulating sequential TPDI processes, enabling one to computationally study the molecular effects in the angular distribution for sequential inner-shell double ionization.

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Contributing Institute(s):
  1. CFEL-Theory (FS-CFEL-3)
  2. FS-CFEL-3 (CFEL-DESYT)
Research Program(s):
  1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
Experiment(s):
  1. No specific instrument

Appears in the scientific report 2025
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 Record created 2024-12-05, last modified 2025-07-15


Published on 2025-07-08. Available in OpenAccess from 2026-07-08.:
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