Diatomic-py: A Python module for calculating the rotational and hyperfine structure of 1Σ molecules
| Autor: | Jacob A. Blackmore, Philip D. Gregory, Jeremy M. Hutson, Simon L. Cornish |
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| Rok vydání: | 2023 |
| Předmět: |
Quantum Gases (cond-mat.quant-gas)
Atomic Physics (physics.atom-ph) Hardware and Architecture FOS: Physical sciences General Physics and Astronomy Physics::Atomic Physics Computational Physics (physics.comp-ph) Condensed Matter - Quantum Gases Physics - Computational Physics Physics - Atomic Physics |
| Zdroj: | Computer Physics Communications, 2023, Vol.282, pp.108512 [Peer Reviewed Journal] |
| Popis: | 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. Program summary Program Title: Diatomic-Py CPC Library link to program files: https://doi.org/10.17632/3yfxnh5bn5.1 Developer's repository link: https://doi.org/10.5281/zenodo.6632148 Licensing provisions: BSD 3-clause Programming language: Python ≥ 3.7 Nature of problem: Calculation of the rotational and hyperfine structure of molecules in the presence of dc magnetic, dc electric, and off-resonant laser fields. Solution method: A matrix representation of the Hamiltonian is constructed in the uncoupled basis set. Eigenstates and eigenenergies are calculated by numerical diagonalization of the Hamiltonian. Additional comments including restrictions and unusual features: Restricted to calculating the Stark and Zeeman shifts with co-axial electric and magnetic fields. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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