钠原子主线系精细结构的多体微扰计算  

MBPT calculation for the fine-structure intervals of principal series np(n=3-9) for Na

作　　者：陈笋[1] 朱云霞[1] 葛自明[1] 贺黎明[1] 

机构地区：[1]华东理工大学物理系,上海200237

出　　处：《物理学报》2012年第15期153-160,共8页Acta Physica Sinica

摘　　要：在相对论的框架下采用多体微扰理论(MBPT)方法计算了纳原子np(n=3—9)态的能级精细结构分裂值.为避免多体微扰计算中需要计算大量连续态的困扰,通过引入外势的方法可以构建离散、有限和近似完备的数值基函数.经求解相对论Hartree-Fock(RHF)方程及外势作用下的RHF方程可获得零级近似波函数和能级值.为了使微扰展开能够收敛,计算中用到了轨道角量子数i≤6的在一定能量分布范围内的中间态,其中以在外势作用下的收缩态为主.依此方法计算了纳原子主线系系列能级二阶微扰修正值,同时还考虑了Breit效应的一级微扰修正对精细结构的影响.通过与其他理论计算结果比较可看出,本文计算结果在较大程度上更接近于实验值.The fine-structure intervals of Na principal series np（n = 3—9） are calculated by the many-body perturbation theory（MBPT） within the framework of relativity.To deal with the problem that a large set of continuum states is required in the MBPT calculation, an exponential potential is employed to generate a discrete,finite and nearly complete set of numerical basis functions.The zerothorder wavefunctions and eignvalues are obtained by solving the relativistic Hartree-Fock（RHF） equation and the RHF equation with the action of a potential barrier.The basis set used in this work contains intermediate orbitals with the angular momentum l≤6 and in an appropriate energy range,and most of them are the so called ＂contracted＂ orbitals.Encouraging results are obtained using this technique to calculate the second-order correlation corrections,combining the Breit effects in a first-order perturbation approach. Compared with other theoretical calculations,the present results are much close to the experimental results.

关 键 词：主线系 精细结构 多体微扰理论(MBPT) Breit效应 

分 类 号：O562.1[理学—原子与分子物理]