Diatomic-py: A Python module for calculating the rotational and hyperfine structure of 1Σ molecules
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 u...
| Main Authors: | , , , |
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| Formato: | Journal article |
| Idioma: | English |
| Publicado em: |
Elsevier
2022
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| Resumo: | 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.
<br><i>Program summary</i>
<br><i>Program Title:</i> Diatomic-Py
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CPC Library link to program files: </i>https://doi.org/10.17632/3yfxnh5bn5.1
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Developer's repository link: </i>https://doi.org/10.5281/zenodo.6632148
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Licensing provisions:</i> BSD 3-clause
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Programming language: </i>Python ≥ 3.7
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Nature of problem: </i>Calculation of the rotational and hyperfine structure of molecules in the presence of dc magnetic, dc electric, and off-resonant laser fields.
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Solution method: </i>A matrix representation of the Hamiltonian is constructed in the uncoupled basis set. Eigenstates and eigenenergies are calculated by numerical diagonalization of the Hamiltonian.
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Additional comments including restrictions and unusual features:</i> Restricted to calculating the Stark and Zeeman shifts with co-axial electric and magnetic fields. |
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