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The feasibility of laser cooling: an investigation of ab initio of MgBr, MgI and MgAt molecular.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ( IF 4.3 ) Pub Date : 2020-01-23 , DOI: 10.1016/j.saa.2020.118107 Quan-Shun Yang 1 , Tao Gao 2
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy ( IF 4.3 ) Pub Date : 2020-01-23 , DOI: 10.1016/j.saa.2020.118107 Quan-Shun Yang 1 , Tao Gao 2
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Finding a promising laser cooling candidate molecule is an essential part of laser cooling experiments. The possibility of laser cooling the MgBr, MgI and MgAt molecules is investigated using ab initio method in this paper. Twelve low-lying Λ-S and six Ω electronic states of the MgBr, MgI and MgAt molecule have been calculated at the multi-reference configuration interaction level of theory. The fitted spectral constants of the bound state are in good agreement with previously obtained theoretical and experimental value. The highly diagonally distributed Franck-Condon factors for the A2Π1/2 → X2∑1/2+ transition of the MgBr, MgI and 22Π1/2 → X2∑1/2+ transition of the MgAt are obtained by using the LEVEL program based on the potential energy curves and transition dipole moments. The short radiative lifetime of the A2Π1/2 of the MgBr, MgI and 22Π1/2 of the MgAt state are determined. Then, we design a laser cooling scheme with one cooling the main laser beam and two repumping laser beams. Finally, the transition spectral data of hyperfine energy level with the errors relative to the experimental data not exceeding 6 MHz are evaluated via employing a quantum effective Hamiltonian approach. We hope that a helpful reference can be provided for experimental observation and operation.
中文翻译：
激光冷却的可行性：MgBr，MgI和MgAt分子从头算的研究。
寻找有希望的激光冷却候选分子是激光冷却实验的重要组成部分。本文从头开始研究了激光冷却MgBr，MgI和MgAt分子的可能性。在理论上的多参考构型相互作用水平下，已计算出MgBr，MgI和MgAt分子的十二个低洼Λ-S和六个Ω电子态。束缚态的拟合光谱常数与先前获得的理论和实验值非常一致。MgBr，MgI的A2Π1/ 2→X2∑1 / 2 +跃迁和MgAt的22Π1/ 2→X2∑1 / 2 +跃迁的高度对角分布的Franck-Condon因子通过使用基于势能曲线和跃迁偶极矩。MgBr的A2Π1/ 2的短辐射寿命，确定MgI和MgAt状态的22Π1/ 2。然后，我们设计了一种激光冷却方案，其中一个冷却主激光束，然后冷却两个回射激光束。最后，通过采用量子有效哈密顿方法，评估了相对于实验数据误差不超过6 MHz的超精细能级的跃迁谱数据。我们希望可以为实验观察和操作提供有益的参考。
更新日期：2020-01-24
中文翻译：
激光冷却的可行性：MgBr，MgI和MgAt分子从头算的研究。
寻找有希望的激光冷却候选分子是激光冷却实验的重要组成部分。本文从头开始研究了激光冷却MgBr，MgI和MgAt分子的可能性。在理论上的多参考构型相互作用水平下，已计算出MgBr，MgI和MgAt分子的十二个低洼Λ-S和六个Ω电子态。束缚态的拟合光谱常数与先前获得的理论和实验值非常一致。MgBr，MgI的A2Π1/ 2→X2∑1 / 2 +跃迁和MgAt的22Π1/ 2→X2∑1 / 2 +跃迁的高度对角分布的Franck-Condon因子通过使用基于势能曲线和跃迁偶极矩。MgBr的A2Π1/ 2的短辐射寿命，确定MgI和MgAt状态的22Π1/ 2。然后，我们设计了一种激光冷却方案，其中一个冷却主激光束，然后冷却两个回射激光束。最后，通过采用量子有效哈密顿方法，评估了相对于实验数据误差不超过6 MHz的超精细能级的跃迁谱数据。我们希望可以为实验观察和操作提供有益的参考。
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