General time-dependent configuration-interaction singles. I. Molecular case
(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:
https://lup.lub.lu.se/record/63b39488-6312-4e70-b16b-53266c16eff5
- author
- Carlström, Stefanos LU ; Spanner, Michael and Patchkovskii, Serguei
- organization
- publishing date
- 2022-10
- 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}}, }