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Theoretical analysis of the relativistic hyperfine interaction in 131Xe I
Journal of Quantitative Spectroscopy and Radiative Transfer ( IF 2.3 ) Pub Date : 2020-08-09 , DOI: 10.1016/j.jqsrt.2020.107246
Ola Hassouneh , Wa'el Salah

The relativistic hyperfine constants of the heavy inert gas element xenon-131 isotope have been calculated. The calculations, executed through the Multiconfiguration Dirac-Hartree-Fock method, yield the hyperfine constants of 128 levels belonging to the ns[K]J (n = 6, 7, 8, 9), nf [K]J (n = 4, 5, 6), nd[K]J (n = 5, 6, 7, 8), np[K]J (n = 6, 7, 8) and 5g[K]J intermediate Rydberg series. In order to draw further insights into the precision of our calculations and the accuracy of the obtained data, the resulting magnetic dipole and electric quadrupole hyperfine constants are analysed by comparing them with other experimental and theoretical results available in the atomic spectra database. Indeed, a satisfactory agreement is observed between our results and the other experimental and theoretical ones. Moreover, the absence of the hyperfine anomaly enables us to highlight the plausibility of our theoretical results through the calculation of the ratio A129A131 for a given state. The obtained values are found to be compatible with the ratio of nuclear moments of 129Xe and 131Xe isotopes. The consistency of these two different analyses confirms the accuracy of our data, on the one hand and classifies them as a reference in identifying the experimental spectrum in xenon, on the other hand. Based on this accuracy, the calculated values of the hyperfine constants for the levels under consideration, accompanied by the experimental values of the nuclear magnetic dipole and electric quadrupole moments, facilitated the calculation of the mean value of the magnetic as well as the electric field gradients produced by the electron at the tiny nucleus.



中文翻译:

131 Xe I的相对论超精细相互作用的理论分析

计算了重惰性气体元素氙131同位素的相对论超精细常数。通过多配置Dirac-Hartree-Fock方法执行的计算得出属于n s [ K ] J(n = 6,7,8,9) n f [ K ] J(n = 4,5,6),n d [ K ] J(n = 5,6,7,8),n p [ K ] J(n = 6,7,8)和5 g [K] J中级里德堡系列。为了进一步了解我们的计算精度和获得的数据的准确性,通过将它们与原子光谱数据库中提供的其他实验和理论结果进行比较,分析了所得的磁偶极子和电四极子超精细常数。确实,我们的结果与其他实验和理论结果之间观察到令人满意的一致性。此外,由于没有超精细异常,因此我们可以通过计算比率来强调理论结果的合理性一种129一种131给定状态。发现所获得的值与129 Xe和131 Xe同位素的核矩之比兼容。两种不同分析方法的一致性一方面证实了我们数据的准确性,另一方面又将它们分类为鉴定氙实验光谱的参考。基于此精度,所考虑的能级的超精细常数的计算值,连同核磁偶极子和电四极矩的实验值,有助于计算磁平均值和电场梯度由电子在微小核上产生。

更新日期:2020-08-09
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