Department of Applied Physics, Chengdu University of Technology, Chengdu, China.
Computational Physics Key Laboratory of Sichuan Province, Yibin University, Yibin, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2020 Feb 15;227:117684. doi: 10.1016/j.saa.2019.117684. Epub 2019 Oct 23.
The probabilities of laser cooling of TeH anion via a spin-forbidden transition and a three-electronic-level transition are proposed. The potential energy curves of the XΣ, a∏, A∏, and bΣ electronic states of tellurium monohydride anion (TeH) are calculated using multi-reference configuration interaction method. Davidson corrections, core-valence correlations and spin-orbit coupling effects are also considered. The AWCV5Z-PP pseudopotential basis set of Te atom is used. Spectroscopic parameters of the Λ-S and Ω states are obtained by solving radial Schrodinger equation. These results are reported at the first time. Permanent dipole moments of the Ω states and transition dipole moments of the a1↔X0 and A1↔X0 transitions are also calculated. Highly diagonally distributed Franck-Condon factors of the a1↔X0 and A1↔X0 transitions are obtained, the value of f is 0.9970 and 0.9980, respectively. Spontaneous radiative lifetimes of the a1 and A1 excited states are predicted. i.e. τ(a1) = 200.3 ns and τ(A1) = 84.3 ns. Only the main pump laser is required to driving a1↔X0 and A1↔X0 transitions. The laser wavelengths both are in the visible region. Doppler temperatures and recoil temperatures of laser cooling TeH anion are also predicted.
提出了通过自旋禁戒跃迁和三电子能级跃迁来冷却 TeH 负离子的概率。使用多参考组态相互作用方法计算了碲单氢负离子 (TeH) 的 XΣ、a∏、A∏ 和 bΣ 电子态的势能曲线。还考虑了 Davidson 修正、芯价关联和自旋轨道耦合效应。使用 Te 原子的 AWCV5Z-PP 赝势基组。通过求解径向薛定谔方程获得 Λ-S 和 Ω 态的光谱参数。这些结果是首次报道的。还计算了 Ω 态的永久偶极矩和 a1↔X0 和 A1↔X0 跃迁的跃迁偶极矩。获得了 a1↔X0 和 A1↔X0 跃迁的高度对角 Franck-Condon 因子，其值分别为 0.9970 和 0.9980。预测了 a1 和 A1 激发态的自发辐射寿命，即 τ(a1) = 200.3 ns 和 τ(A1) = 84.3 ns。仅需主泵激光即可驱动 a1↔X0 和 A1↔X0 跃迁。激光波长均在可见光区。还预测了激光冷却 TeH 负离子的多普勒温度和反冲温度。
