摘要:
利用基于多组态Dirac-Hartree-Fock（MCDHF）理论方法的相对论原子结构计算程序包GRASP2K,细致计算了中性锂原子、类锂Be^＋,C^（3＋）,O5^＋,Ne^（7＋）,Ar^（15＋）,Fe^（23＋）,Mo^（39＋）,W^（71＋）及U^（89＋）离子基组态及较低的激发组态ls^2nl（n=2—4,l=s,p,d,f）的精细结构能级,以及各能级间发生电偶极（E1）自发辐射跃迁的能量、概率及振子强度.同时,在非相对论极限下,计算了其相关原子参数.通过对相对论及非相对论计算结果的比较,系统研究了相对论效应对类锂等电子系列离子能级结构及E1跃迁性质的影响,揭示了随原子核电荷数Z变化时,跃迁能、振子强度强烈依赖于量子数n,l,j变化的规律;同时,目前的计算结果与其他已有的理论计算及实验测量结果进行了比较.
Abstract:
The transition energies,probabilities,and oscillator strengths for the electric dipole（E1） transitions between all levels of the ground state and the low-lying excited states of 1s^2nl（n = 2-4,l = s,p,d,f） configurations of Li atom and Li-like ions（Be^＋,C^（3＋）, O^（5＋）,Ne^（7＋）,Ar^（15＋）,Fe^（23＋）,Mo^（39＋）,W^（71＋）,U^（89＋）） have been calculated,using the relativistic atomic computational code GRASP2K, which based on the Multi-configuration Dirac-Hartree-Fock（MCDHF） method.The norelativistic results for all of those transitions have been also obtained for comparative purposes by performing the similar calculations in the non-relativistic limit.The effects of relativity on the E1 transition energies and oscillator strengths of Li-like isoelectronic sequence are discussed with a particular emphasis, and some important conclusions are drawn.Comparison of the present results with other available data is also made,good agreement is obtained.
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