类锂体系激发态1s^2 nd(n=3,4,5)精细结构和项能的理论计算  

Theoretical calculation of the fine-structure and term energy of the excited states 1s^2 nd(n=3,4,5) of lithium-like systems

作　　者：葛自明[1] 吕志伟[1] 王治文[2,3] 周雅君[2] 

机构地区：[1]哈尔滨工业大学光电子技术研究所 [2]吉林大学原子与分子物理研究所 [3]辽宁师范大学物理系,大连110629

出　　处：《物理学报》2002年第12期2733-2739,共7页Acta Physica Sinica

摘　　要：使用全实加关联 (fullcorepluscorrelation缩写为FCPC)和里兹 (Ritz)变分方法计算了类锂体系 (Z =11— 2 0 )激发态 1s2 nd(n =3,4 ,5 )的非相对论能量和波函数 ;包括动能修正、电子 电子接触项、轨道 轨道相互作用项以及Darwin项的相对论修正和质量极化项由全实加关联波函数的一阶微扰给出 ,量子电动力学 (quantumelectronicdynamics缩写为QED)修正由有效核电荷方法和类氢公式计算 ;给出了高电离类锂体系激发态的激发能、精细结构和项能 (termenergy) ,并将计算结果与实验数据及其他理论计算结果进行了比较 ,表明FCPC方法中电子关联波函数很好地反映了具有 1s2The full-core plus correlation (FCPC) and the minimiziation of the expectation value of the Hamiltonian method is extended to calculate the non-relativistic energies and the wave functions of 1s(2) nd ( n = 3,4,5) states for the lithium-like systems from Z = 11 to 20. The mass-polarization and the relativistic correction including the kinetic-energy correction, the Darwin term, the electron-electron contact term, and the orbit-orbit interaction are calculated perturbatively as the first-order correction. The contribution from quantum electrodynamics (QED) is also included by using the effective nuclear charge formula. The excited energies, fine-structure, and the term-energy are given and compared with other theoretical calculation and experimental results. It is shown that the correlative wave in the FCPC method embodies very well the strong con-elation effect between the 1s(2) core and the valence electron.

关 键 词：激发态 项能 理论计算 类锂体系 全实加关联 精细结构 激发能 原子结构 

分 类 号：O562.1[理学—原子与分子物理]