Diatomic-py: A Python module for calculating the rotational and hyperfine structure of 1Σ molecules

Blackmore, J.A.; Gregory, P.D.; Hutson, J.M.; Cornish, S.L.

doi:10.1016/j.cpc.2022.108512

Diatomic-py: A Python module for calculating the rotational and hyperfine structure of 1Σ molecules

Blackmore, J.A.; Gregory, P.D.; Hutson, J.M.; Cornish, S.L.

Authors

J.A. Blackmore

P.D. Gregory

Professor Jeremy Hutson j.m.hutson@durham.ac.uk
Professor

Professor Simon Cornish s.l.cornish@durham.ac.uk
Professor

Abstract

We present a computer program to calculate the quantised rotational and hyperfine energy levels of diatomic molecules in the presence of dc electric, dc magnetic, and off-resonant optical fields. Our program is applicable to the bialkali molecules used in ongoing state-of-the-art experiments with ultracold molecular gases. We include functions for the calculation of space-fixed electric dipole moments, magnetic moments and transition dipole moments.

Citation

Blackmore, J., Gregory, P., Hutson, J., & Cornish, S. (2023). Diatomic-py: A Python module for calculating the rotational and hyperfine structure of 1Σ molecules. Computer Physics Communications, 282, Article 108512. https://doi.org/10.1016/j.cpc.2022.108512

Journal Article Type	Article
Acceptance Date	Aug 22, 2022
Online Publication Date	Sep 14, 2022
Publication Date	2023-01
Deposit Date	Jun 24, 2022
Publicly Available Date	Sep 15, 2022
Journal	Computer Physics Communications
Print ISSN	0010-4655
Publisher	Elsevier
Peer Reviewed	Peer Reviewed
Volume	282
Article Number	108512
DOI	https://doi.org/10.1016/j.cpc.2022.108512
Related Public URLs	https://arxiv.org/abs/2205.05686

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http://creativecommons.org/licenses/by/4.0/

Copyright Statement
© 2022 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).