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.
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)
关键词
锂离子
基态能量
参数微扰法
Lithium- ion
Ground state energy
Parameter perturbation method