Abstract

Statistical models combined with the local plasma frequency approach applied to the atomic electron density are employed to study the photoionization cross-section for complex atoms. It is demonstrated that the Thomas–Fermi atom provides surprisingly good overall agreement even for complex outer-shell configurations, where quantum mechanical approaches that include electron correlations are exceedingly difficult. Quantum mechanical photoionization calculations are studied with respect to energy and nl quantum number for hydrogen-like and non-hydrogen-like atoms and ions. A generalized scaled photoionization model (GSPM) based on the simultaneous introduction of effective charges for non-H-like energies and scaling charges for the reduced energy scale allows the development of analytical formulas for all states nl. Explicit expressions for nl = 1s, 2s, 2p, 3s, 3p, 3d, 4s, 4p, 4d, 4f, and 5s are obtained. Application to H-like and non-H-like atoms and ions and to neutral atoms demonstrates the universality of the scaled analytical approach including inner-shell photoionization. Likewise, GSPM describes the near-threshold behavior and high-energy asymptotes well. Finally, we discuss the various models and the correspondence principle along with experimental data and with respect to a good compromise between generality and precision. The results are also relevant to large-scale integrated light–matter interaction simulations, e.g., X-ray free-electron laser interactions with matter or photoionization driven by a broadband radiation field such as Planckian radiation.

Highlights

  • Most of the matter in the universe is ionized and in the so-called plasma state.1–3 There are essentially two main sources of ionization: collisional ionization due to particle impact and photoionization

  • It is demonstrated that the Thomas–Fermi atom provides surprisingly good overall agreement even for complex outer-shell configurations, where quantum mechanical approaches that include electron correlations are exceedingly difficult

  • A generalized scaled photoionization model (GSPM) based on the simultaneous introduction of effective charges for non-H-like energies and scaling charges for the reduced energy scale allows the development of analytical formulas for all states nl

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Summary

INTRODUCTION

Most of the matter in the universe is ionized and in the so-called plasma state. There are essentially two main sources of ionization: collisional ionization due to particle impact (by electrons, atoms, and ions) and photoionization. Simulation of XFEL interaction with solids requires expressions for photoionization cross-sections from all configurations, including in particular inner atomic shells.. Similar considerations hold true for high-energy-density physics, where intense radiation fields drive important matter ionization: general expressions for the photoionization cross-sections from any configurations of rather complex atoms and ions are required in order to realize large-scale integrated simulations in light–matter interaction physics. It is the aim of the present work to develop various methods that are suitable for general implementation in integrated simulations in which a reasonable compromise between generality and precision can be achieved.

Quantum mechanical approach and continuum oscillator strength
Born approximation
Local plasma frequency model
Mixed quantum–classical approach
HYDROGEN-LIKE APPROXIMATION AND SCALING RELATIONS
INNER-SHELL PROCESSES AND EQUIVALENT ELECTRONS
DISCUSSION AND APPLICATIONS
RADIATION FIELDS AND PHOTOIONIZATION RATES
Z3π2c3
Findings
VIII. CONCLUSION
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