Atomic Data and Nuclear Data Tables ( IF 2.7 ) Pub Date : 2020-03-23 , DOI: 10.1016/j.adt.2020.101340 E. Bokamba Motoumba , S. Enzonga Yoca , P. Quinet , P. Palmeri
In the present paper, the radiative properties of three ions belonging to the erbium isoelectronic sequence, i.e. Lu IV, Hf V and Ta IV, are reported and the effect of configuration interaction on these properties are taken into account for the first time to our knowledge. These heavy elements with –73 are located near to tungsten () in the Periodic Table and are of potential interest in controlled thermonuclear fusion. Indeed, they could be used in plasma-facing materials such as the divertors in tokamaks or/and could be generated by neutron-induced transmutations of divertor’s materials. In this work, two independent theoretical atomic structure computational approaches have been considered, i.e. the semi-empirical Hartree–Fock with relativistic corrections method (HFR) and the ab initio multiconfiguration Dirac–Hartree–Fock with subsequent relativistic configuration interaction method (MCDHF-RCI). The transition probabilities and the oscillator strengths have been calculated for 593, 820 and 1101 E1 transitions in Lu IV, Hf V and Ta VI respectively spanning the spectral range from UV to IR. Finally, this study also underlines the importance of core-valence correlations in these heavy atomic ions.
中文翻译:
使用从头算MCDHF-RCI和半经验HFR方法计算类离子Lu IV,Hf V和Ta VI的跃迁速率
在本文中,我们报道了iso等电子序列的三个离子Lu IV,Hf V和Ta IV的辐射性质,并且首次考虑到构象相互作用对这些性质的影响。 。这些重元素–73位于钨附近()在元素周期表中,并且在受控热核聚变中具有潜在的意义。实际上,它们可用于面向等离子体的材料,例如托卡马克中的偏滤器,和/或可通过中子引起的偏滤器材料的trans变产生。在这项工作中,考虑了两种独立的理论原子结构计算方法,即具有相对论校正方法(HFR)的半经验Hartree-Fock和从头算多重配置Dirac–Hartree–Fock及其后续的相对论配置交互方法(MCDHF-RCI)。已针对Lu IV,Hf V和Ta VI中的593、820和1101 E1跃迁分别计算了从UV到IR光谱范围的跃迁概率和振荡器强度。最后,这项研究还强调了这些重原子离子中核价相关性的重要性。