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General time-dependent configuration-interaction singles. II. Atomic case

Carlström, Stefanos LU ; Bertolino, Mattias LU orcid ; Dahlström, Jan Marcus LU and Patchkovskii, Serguei (2022) In Physical Review A 106(4).
Abstract

We present a specialization of the grid-based implementation of the time-dependent configuration-interaction singles described in the preceding paper [S. Carlström et al., preceding paper, Phys. Rev. A 106, 043104 (2022)]10.1103/PhysRevA.106.043104. 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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author
; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A
volume
106
issue
4
article number
042806
publisher
American Physical Society
external identifiers
  • scopus:85139831822
ISSN
2469-9926
DOI
10.1103/PhysRevA.106.042806
language
English
LU publication?
yes
id
b25ec260-9370-4349-9767-b14ae36dd6d9
date added to LUP
2022-12-14 15:51:03
date last changed
2022-12-14 15:51:03
@article{b25ec260-9370-4349-9767-b14ae36dd6d9,
  abstract     = {{<p>We present a specialization of the grid-based implementation of the time-dependent configuration-interaction singles described in the preceding paper [S. Carlström et al., preceding paper, Phys. Rev. A 106, 043104 (2022)]10.1103/PhysRevA.106.043104. 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.</p>}},
  author       = {{Carlström, Stefanos and Bertolino, Mattias and Dahlström, Jan Marcus and Patchkovskii, Serguei}},
  issn         = {{2469-9926}},
  language     = {{eng}},
  number       = {{4}},
  publisher    = {{American Physical Society}},
  series       = {{Physical Review A}},
  title        = {{General time-dependent configuration-interaction singles. II. Atomic case}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.106.042806}},
  doi          = {{10.1103/PhysRevA.106.042806}},
  volume       = {{106}},
  year         = {{2022}},
}