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The electronic states of strontium sulfide SrS: A global perspective and transition moments, radiative transition probabilities, and radiative lifetimes for selected transitions
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-07-28 , DOI: 10.1016/j.jqsrt.2020.107233
Matheus Morato Ferreira de Moraes , Fernando R. Ornellas

Λ + S and Ω electronic states of strontium sulfide are characterized at the CASSCF/MRCI+Q level of theory. This is the first work to provide a reliable picture of the potential energy curves showing the challenges one might face to investigate them either theoretically or experimentally. Spectroscopic parameters and averaged dipole moment functions are reported. Einstein emission coefficients provide relevant information on the relative intensities for selected transitions. Radiative lifetimes are also estimated and an accurate value of dissociation energy for the ground state obtained. Perturbing states in the 1Σ+ − 1Σ+ spectra observed experimentally can now be clearly identified. The reliability and perspective of the present results are expected to motivate and guide future experimental investigations on this system.



中文翻译:

硫化锶SrS的电子状态:全局视角和选定跃迁的跃迁矩,辐射跃迁几率和辐射寿命

硫化锶的Λ+ S和Ω电子态在理论CASSCF / MRCI + Q级别上表征。这是提供可靠的势能曲线图的第一项工作,它显示了人们可能在理论上或实验上研究它们所面临的挑战。报告了光谱参数和平均偶极矩函数。爱因斯坦发射系数提供了有关选定跃迁的相对强度的相关信息。还估算了辐射寿命,并获得了基态的离解能的准确值。在扰动状态下的1 Σ +  -  1 Σ +现在可以清楚地识别通过实验观察到的光谱。当前结果的可靠性和前景有望激发和指导对该系统的未来实验研究。

更新日期:2020-07-28
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