Diatomic-py: A python module for calculating the rotational and hyperfine structure of $^1\Sigma$ molecules

TL;DR

Diatomic-py is a Python module designed to compute the rotational and hyperfine energy levels of $^1 ext{Σ}$ diatomic molecules under various external fields, aiding ultracold molecular gas research.

Contribution

It introduces a new Python software tool that calculates energy levels and molecular properties for $^1 ext{Σ}$ diatomic molecules in complex field environments.

Findings

Accurately computes rotational and hyperfine energy levels.

Includes functions for electric and magnetic moments, and transition dipole moments.

Applicable to bialkali molecules in ultracold experiments.

Abstract

We present a computer program to calculate the quantised rotational and hyperfine energy levels of $^{1}\Sigma $ 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.