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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+, C3+, O5+, Ne7+, Ar15+, Fe23+, Mo39+, W71+及U89+ 离子基组态及较低的激发组态1s2nl (n = 24, 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.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 1s2nl (n=24, l= s, p, d, f) configurations of Li atom and Li-like ions(Be+, C3+, O5+, Ne7+, Ar15+, Fe23 +, Mo39+, W71+, U89+) 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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