DiPolMol-Py: A Python package for calculations for $^2\Sigma$ ground-state molecules
Atomic Physics
2025-09-01 v1 Computational Physics
Abstract
We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far off-resonant optical fields. We additionally include functions to calculate the polarisability of the molecule and the transition dipole moment between different energy eigenstates. The package is applicable to many of the molecules which can be laser cooled, specifically the alkaline earth fluorides. We provide a constants file which includes many of the required literature values for CaF, SrF and BaF. Additional species can easily be added by updating this file.
Cite
@article{arxiv.2503.21663,
title = {DiPolMol-Py: A Python package for calculations for $^2\Sigma$ ground-state molecules},
author = {Bethan Humphreys and Alex J. Matthies and Hannah J. Williams},
journal= {arXiv preprint arXiv:2503.21663},
year = {2025}
}
Comments
25 pages, 5 figures