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

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DOI	Resolve DOI: https://doi.org/10.1103/PhysRevA.106.043104
Author	Search for: Carlström, Stefanos ORCID identifier: https://orcid.org/0000-0002-1230-4496; Search for: Spanner, Michael¹; Search for: Patchkovskii, Serguei
Affiliation	National Research Council Canada. Security and Disruptive Technologies
Funder	Search for: Stiftelsen Olle Engkvist Byggmästare
Format	Text, Article
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)] specializes to the case of spherical symmetry, which is applied to various atoms.
Publication date	2022-10-10
Publisher	American Physical Society
Licence	Creative Commons, Attribution 4.0 International (CC BY 4.0) https://creativecommons.org/licenses/by/4.0/
In	Physical Review A 106, no. 4, 043104 (10 October 2022).
Language	English
Peer reviewed	Yes
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Record identifier	f32bb5db-3139-4dff-b763-1719f2c1aae5
Record created	2023-12-06
Record modified	2023-12-06

Date modified:: 2025-12-17