General Time-Dependent Configuration-Interaction Singles II: The Atomic Case
Atomic Physics
2022-10-19 v2 Chemical Physics
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.
Cite
@article{arxiv.2204.10534,
title = {General Time-Dependent Configuration-Interaction Singles II: The Atomic Case},
author = {Stefanos Carlström and Mattias Bertolino and Jan Marcus Dahlström and Serguei Patchkovskii},
journal= {arXiv preprint arXiv:2204.10534},
year = {2022}
}