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arXiv · 2204.10534

General Time-Dependent Configuration-Interaction Singles II: The Atomic Case

Stefanos Carlström·Mattias Bertolino·Jan Marcus Dahlström·Serguei Patchkovskii
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Abstract

We present a specialization of the grid-based implementation of the time-dependent configuration-interaction singles described in the preceding paper (arXiv:2204.09966) to the case of spherical symmetry. We describe the intricate time propagator in detail, and conclude with a few example calculations. Among these, of note are high-resolution photoelectron spectra in the vicinity of the Fano resonances in photoionization of neon, and spin-polarized photoelectrons from xenon, in agreement with recent experiments.

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Stefanos Carlström, Mattias Bertolino, Jan Marcus Dahlström, Serguei Patchkovskii. 2022-04-22. General Time-Dependent Configuration-Interaction Singles II: The Atomic Case. https://doi.org/10.1103/physreva.106.042806

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