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General time-dependent configuration-interaction singles. I. Molecular case

Carlström, Stefanos LU ; Spanner, Michael and Patchkovskii, Serguei (2022) In Physical Review A 106(4).
Abstract

We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in our treatment of this method, we present example calculations of strong-field ionization of He, LiH, H2O, and C2H4 that demonstrate the utility of our implementation. The following paper [S. Carlström et al., following paper, Phys. Rev. A 106, 042806 (2022)10.1103/PhysRevA.106.042806] specializes to the case of spherical symmetry, which is applied to various atoms.

Please use this url to cite or link to this publication:
author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review A
volume
106
issue
4
article number
043104
publisher
American Physical Society
external identifiers
  • scopus:85139874343
ISSN
2469-9926
DOI
10.1103/PhysRevA.106.043104
language
English
LU publication?
yes
id
63b39488-6312-4e70-b16b-53266c16eff5
date added to LUP
2022-12-14 15:46:54
date last changed
2022-12-14 15:46:54
@article{63b39488-6312-4e70-b16b-53266c16eff5,
  abstract     = {{<p>We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in our treatment of this method, we present example calculations of strong-field ionization of He, LiH, H2O, and C2H4 that demonstrate the utility of our implementation. The following paper [S. Carlström et al., following paper, Phys. Rev. A 106, 042806 (2022)10.1103/PhysRevA.106.042806] specializes to the case of spherical symmetry, which is applied to various atoms.</p>}},
  author       = {{Carlström, Stefanos and Spanner, Michael 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. I. Molecular case}},
  url          = {{http://dx.doi.org/10.1103/PhysRevA.106.043104}},
  doi          = {{10.1103/PhysRevA.106.043104}},
  volume       = {{106}},
  year         = {{2022}},
}