参数微扰法计算锂离子(Li^+)基态能量  

Ground State Energy Calculation of Lithium-ion( Li^+) with Parameter Perturbation Method

作　　者：张昌莘[1] 陆霁[1] 席伟[1] 

机构地区：[1]广东石油化工学院物理系,广东茂名525000

出　　处：《广东石油化工学院学报》2015年第3期65-68,共4页Journal of Guangdong University of Petrochemical Technology

基　　金：国家自然科学基金项目(91121019);广东省科技计划项目(2010B080701066)

摘　　要：根据参数微扰法理论,选择有效核电荷数为z*=3-σ的两个类氢原子的1s、2s和3s态波函数的组合,作为锂离子(Li+)基态的一级近似波函数。应用微扰法计算了锂离子(Li+)基态二级近似能量。计算结果表明参数微扰法得到的锂离子(Li+)基态二级近似能量与实验值的相对误差为0.029 1%。According to the parameter perturbation theory, a combination of the ls,2s and 3s wave functions of two hydrogen like atom with effective nuclear charge number of z＊ = 3 - σ is chosen as the first order approximation of wave function for the ground state of lithium - ion （ Li＋ ）. Second level approximate energy of the ground state of lithium- ion（Li ＋ ）is calculated with the application of perturbation method. Calculation results show that the relative error of the second order approximation energy of lithium 2 ion（Li＋ ）ground state with perturbation method is 0. 0291% compared with the experiment result.

关 键 词：锂离子 基态能量 参数微扰法 

分 类 号：O413.1[理学—理论物理]