类锂体系(Z=21—30)基态1s^22s电离能和相对论项能的理论计算  

Theoretical calculation of ionization potential and term energy of the ground states 1s^22s of lithium-like systems from Z=21 to 30

作　　者：葛自明[1] 王治文[2] 周雅君[2] 

机构地区：[1]华东理工大学理学院物理系,上海200237 [2]吉林大学原子与分子物理研究所

出　　处：《物理学报》2004年第1期42-47,共6页Acta Physica Sinica

基　　金：国家自然科学基金 (批准号 :10 1740 2 9)资助的课题~~

摘　　要：使用全实加关联方法和里兹 (Ritz)变分方法计算了类锂体系 (Z =2 1— 30 )基态 1s2 2s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 ,量子电动力学修正QED(quantumelectronicdynamic)由有效核电荷方法和类氢公式计算 ;给出了中等核电荷的高电离类锂体系基态的电离能、相对论效应的项能 (termenergy) ,并将计算结果与实验数据进行了比较 ,表明FCPC方法对于较高核电荷类锂体系结构的理论计算仍然十分有效 .In the paper, the full-core plus correlation (FCPC) and the minimizing the expectation value of the Hamiltonian method is extended to calculate the non-relativistic energies and the wave functions of 1s 22s states for the lithium-like systems from Z =21 to 30. The mass-polarization and the relativistic correction included the kinetic-energy correction, the Darwin term, the electron-electron contact term, and the orbit-orbit interaction are calculated perturbatively as first-order correction. The contribution from quantum electrodynamic (QED) is also included by using the effective nuclear charge formula. The ionization potential and term energies of the ground states 1s 22s are given and compared with other's theoretical calculation and experimental results. It is shown that the FCPC methods are also effective to theoretical calculation of the ionic structure for high nuclear ion of lithium-like systems.

关 键 词：类锂体系 基态 电离能 全实加关联 里兹变分方法 波函数 电子-电子接触项 轨道-轨道相互作用项 量子电动力学修正 

分 类 号：O562[理学—原子与分子物理]