锂等电子序列(Z=11～20)1s^23p-1s^2nd(4≤n≤9)跃迁能的理论计算  

Theoretical calculations on transition energy of 1s^23p—1s^2nd(4≤n≤9) for the lithium isoelectronic sequence from Z=11 to 20

作　　者：胡木宏[1] 王治文[1,2] 

机构地区：[1]辽宁师范大学物理与电子技术学院,大连116029 [2]吉林大学原子与分子物理研究所,长春130021

出　　处：《原子与分子物理学报》2009年第4期601-604,共4页Journal of Atomic and Molecular Physics

基　　金：国家自然科学基金(10774063)

摘　　要：利用全实加关联的方法计算类锂体系(Z=11～20)1s^23p—1s^2nd(4≤n≤9)的跃迁能,将相对论效应(电子动能的相对论修正,Darwin项,电子-电子接触项以及轨道-轨道相互作用)和质量极化效应作为微扰,计算了它们对体系能量的修正.计算得到的结果,与现有的实验数据比较,结果符合得很好.依据量子亏损理论,确定Rydberg系列1s^2nd的量子数亏损,由此实现对任意激发态(n≥10)能量的理论预言.The transition energies of 1s^23p-1s^2nd （4 ≤n≤ 9） for the lithium isoelectronic sequence are calculated by using a full-core-plus-correlation method with multi-configuration interaction wave functions. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation corrections. Compared with the experimental data available in the literature, it appears that the results calculated are satisfactory. Combining the term energies with the single channel quantum defect theory （QDT）, the comparisons of the ionization potential for 1s^2nd states （6≤n≤9） between the FCPC method and semi-empirical method are obtained.

关 键 词：等电子序列 跃迁能 量子亏损理论 

分 类 号：O562.1[理学—原子与分子物理]