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Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation
Karl Michael Ziems1,2, Jakob Bruhnke1, Volker Engel3
1Institute of Physical Chemistry, Friedrich Schiller University Jena, Jena, Germany.
Frontiers in Chemistry
|August 22, 2022
Summary
Investigating nuclear-electron correlation in attosecond XUV ionization reveals its impact on post-ionization dynamics. Understanding this correlation is key to controlling molecular ionization processes.
Area of Science:
- Quantum dynamics
- Molecular physics
- Attosecond science
Background:
- Molecular ionization by attosecond XUV pulses involves complex electron and nuclear dynamics.
- Understanding electron-nuclear correlation is crucial for controlling ionization processes.
Purpose of the Study:
- Investigate the effect of nuclear-electron correlation on molecular ionization dynamics.
- Monitor correlation impact before, during, and after XUV ionization.
Main Methods:
- Correlated two-electron, one-nucleus quantum model system.
- Solving the time-dependent Schrödinger equation.
- Calculating time-resolved photoelectron spectra and asymmetries.
Main Results:
- Initial nuclear wave packet displacement influences post-ionization dynamics via momentum conservation.
- Attosecond electron population is largely unaffected by nuclear wave packet displacement.
- Coupled electron-nuclear dynamics imprint on photoelectron properties, alongside electron-electron correlation.
Conclusions:
- Nuclear-electron correlation significantly affects post-ionization dynamics.
- Provides guidelines on when to include exact correlation treatments in ionization models.
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