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 1Σ 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.

本报告提出一种计算机程序，旨在计算在直流电场、直流磁场和失谐光学场作用下，1Σ双原子分子的量子化转动和超精细能级。本程序适用于在超冷分子气体实验中使用的先进实验技术中所采用的双碱金属分子。此外，我们还纳入了计算空间固定电偶极矩、磁矩和跃迁偶极矩的功能。