Erlangen 2022 – scientific programme

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A: Fachverband Atomphysik

A 14: Interaction with VUV and X-ray light

A 14.5: Talk

Wednesday, March 16, 2022, 11:45–12:00, A-H1

Reconstruction of s-state radial wave functions from photoionization cross-section data — •Hans Kirschner, Alexander Gottwald, and Mathias Richter — Physikalisch-Technische Bundesanstalt, Abbestraße 2-12 D-10587 Berlin-Charlottenburg

The atomic photoionization cross-section can be determined by an integral transformation, containing the final and the initial radial state of the unbound and bound electron, respectively. For the calculation of the cross-section, previous works used Hartree-Fock or even more advanced approaches to model the initial electron wave function. We reversed the process and reconstructed s-state initial radial wave functions in real space from photoionization cross-section data of Ne 2s, Ar 3s and Kr 4s in the VUV and soft x-ray region. To evaluate the radial integral, the final state was approximated by a Coulomb wave function. For the initial state, we assumed a linear combination of Slater-type orbitals with adjustable parameters. These parameters were fitted to measurement data through the integral transformation. Markov Chain Monte Carlo methods were applied to receive the best parameter fit with additional probability distributions. With the resulting parameter space the initial radial wave functions with uncertainty was calculated. Density functional theory was consulted for comparison. Despite systematic deviations, the general behavior of the radial wave functions was reconstructed.