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Molecule effect in inner shell sequential double ionization.

Shutao Zhang1,2,3, Ming Zhang1, Ludger Inhester4

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This summary is machine-generated.

We developed a theoretical framework for two-photon double ionization (TPDI) in molecules. Our findings show molecular structure significantly impacts photoionization dynamics, offering a new way to study these processes.

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Area of Science:

  • Atomic and Molecular Physics
  • Quantum Optics
  • Chemical Physics

Background:

  • Sequential inner shell two-photon double ionization (TPDI) is a complex process involving multiple photons interacting with atoms or molecules.
  • Understanding the angular distribution of emitted photoelectrons provides crucial insights into ionization dynamics.
  • Previous studies often focused on atomic systems, with less emphasis on molecular effects.

Purpose of the Study:

  • To present a theoretical framework for analyzing the angular distribution of photoelectrons in molecular TPDI.
  • To investigate the influence of molecular structure on ionization dynamics.
  • To provide a computational tool for simulating and studying TPDI in polyatomic systems.

Main Methods:

  • Development of a theoretical framework for sequential inner shell TPDI.
  • Numerical calculation of sequential double ionization for the 4d shells of iodine in CH3I.
  • Utilizing both length and velocity gauges for calculations.
  • Comparison with atomic xenon to highlight molecular effects.

Main Results:

  • The angular anisotropy parameters for sequential TPDI were calculated for CH3I.
  • A significant influence of molecular structure on the anisotropy parameter for the second ionization step was observed.
  • The calculated parameters for CH3I differ from those of atomic xenon, underscoring molecular effects.

Conclusions:

  • The molecular structure strongly influences the angular distribution of photoelectrons in sequential TPDI.
  • This provides a sensitive method to probe photoionization dynamics in polyatomic systems.
  • The developed computational code enables further theoretical studies of molecular effects in inner-shell double ionization.