类氢离子的相对论康普顿轮廓（英文）

基于中心场近似得到Dirac径向轨道,并使用恰当的Fourier变换系统计算了类氢离子电子动量分布和康普顿轮廓。以H原子和Xe53+离子为例,探讨了相对论效应和原子核的有限体积效应对单电子康普顿轮廓的影响。同时,详细研究了单电子康普顿轮廓对主量子数n、轨道量子数l、单电子总角动量量子数j和核电荷数Z的依赖关系。结果表明,相对论效应可以扩展康普顿轮廓的分布,并且使给定nl的轨道随着Z的增加分裂得越来越明显。然而,相对论效应也会随着主量子数n和轨道量子数l的增加而减弱。同时,对于nl_j轨道,其康普顿轮廓还具有n-l个平台的结构。另外,原子核的有限体积几乎不会影响H原子和Xe53+离子的康普顿轮廓。The Compton profiles of the electron in the ground and excited states of H-like ions have been calculated systematically with one-electron Dirac radial orbitals by using the proper Fourier transformation. Taking the H atom and Xe53+ ion as examples, the effects of relativity and finite nuclear size on Compton profile have been discussed. Furthermore, the dependence of one-electron Compton profile on the principle quantum number n, orbital quantum number l, angular quantum number j and nuclear charge Z has also been discussed. It is found that the relativistic effect can expand the distribution of the Compton profile and split the orbital more and more obviously for given nl(l=0) as increasing Z. However, the relativistic effect can gradually weaken with the increase of the principal quantum number n and orbital quantum number l. Furthermore, the Compton profile of the orbital with quantum number nl_j has certain number of platforms that is n-l. In addition, the nuclear finite size hardly affects the Compton profile for H atom and Xe53+ ion.     

类氢U91+离子的辐射复合及其辐射退激发过程的理论研究

基于多组态Dirac-Fock理论方法,利用GRASP92和RATIP以及在此基础上最新发展的RERR06程序,对类氢U⁹¹⁺（1s）离子的辐射复合截面以及辐射退激发过程进行了详细的理论研究.系统地计算了具有确定能量的连续电子被处于基态的类氢U⁹¹⁺（1s）离子俘获到nl （1≤n≤8, 0≤l≤6）轨道形成类氦U⁹⁰⁺（1snl）离子的辐射复合截面,并研究了这辐射复合末态退激发谱的相对强度.研究发现,类氢U⁹¹⁺（1s）离子辐射复合到不同轨道的截面随其主量子数的增大而显著减小;同时,辐射复合末态的退激发对Kα谱线的相对强度有重要影响. 关键词： 辐射复合 多组态Dirac-Fock理论方法 辐射退激发     

类镍等电子系列离子M1,M2,E2禁戒跃迁特性的理论研究

利用基于全相对论框架下的多组态Dirac-Fock理论方法发展起来的程序包GRASP92和新发展的处理辐射跃迁过程的程序REOS99,计算了类镍等电子系列离子(Z=45-95)的基组态3s23p63d10 1S0以及低激发组态3s23p63d94l,3s23p53d104l和3s3p63d104 l(l=s,p,d,f)的能级及其向基态的M1,M2,E2禁戒跃迁概率.通过分析高离化类镍离子在特定的原子序数范围内由于存在能级交叉而产生的强组态相互作用,解释了高离化类镍离子禁戒跃迁概率的反常变化现象,探讨了禁戒跃迁概率受强组态相互作用影响而变化的一般规律.     

高离化态类Ne离子的与X射线激光有关的3p-3s跃迁的理论研究

利用多组态Dirac-Fock(MCDF)理论方法,系统研究了与X射线激光有关的类Ne等电子系列离子(Z=50～57)的2s22p6、2s22p53e和2s2p63e(e=s、p、d)激发态的能级以及跃迁几率、波长和振子强度.详细讨论了关联效应对与X射线激光有关的能级寿命以及跃迁几率的影响,给出并分析了与x射线激光有关的3p-3s跃迁的波长,几率和振子强度的变化规律,部分计算结果与已有的理论和实验结果作了比较.     

锂原子光电离过程中的弛豫效应

利用基于多组态Dirac-Fock方法的程序包GRASP92和RATIP以及在此基础上最新发展的RERR06程序,计算了锂原子1s²nl(n=2,3; l=s, p) 的内壳层和外壳层的光电离截面. 计算中详细考虑了光电离过程中的弛豫效应. 结果表明：在锂原子内壳层电子的光电离过程中弛豫效应较强,而在外壳层电子的光电离过程中弛豫效应较弱. 另外,相应于不同态的内壳层光电离过程,其弛豫效应的影响也不同,对激发态的影响比对基态的影响大,对高激发态 关键词： 多组态Dirac-Fock方法 光电离截面 弛豫效应     

类镍等电子系列离子M1,M2,E2禁戒跃迁特性的理论研究

利用基于全相对论框架下的多组态Dirac-Fock理论方法发展起来的程序包GRASP92和新发展的处理辐射跃迁过程的程序REOS99，计算了类镍等电子系列离子(Z=45—95)的基组态3s²3p⁶3d¹⁰¹S₀以及低激发组态3s²3p⁶3d⁹4l,3s²3p⁵3d¹⁰4l和3s3p⁶3d¹⁰4l(l=s,p,d,f)的能级及其向基态的M1,M2,E2禁戒跃迁概率.通过分析高离化类镍离子在特定的原子序数范围内由于存在能级交叉而产生的强组态相互作用，解释了高离化类镍离子禁戒跃迁概率的反常变化现象，探讨了禁戒跃迁概率受强组态相互作用影响而变化的一般规律.     

高离化态金离子的辐射复合及其退激发过程的理论研究

利用基于多组态Dirac-Fock方法的程序包GRASP92和RATIP以及最新发展的RERR06程序,详细计算了高离化态金离子(类镍Au51+、类铜Au50+和类锌Au49+)俘获一个自由电子到nl(n=4—8,l=0—3)壳层的辐射复合谱以及相应的辐射退激发谱.理论计算的辐射复合谱很好地重现了实验谱.研究结果表明:对类镍Au51+、类铜Au50+和类锌Au49+而言,将一个自由电子俘获到n=4壳层的概率最大;在辐射复合过程之后,处在n=4壳层的俘获电子的辐射退激发谱线最强,并且体现了整个辐射退激发谱的主要特征.     

Doubly excited 2s2p 1,3P1 resonances in photoionization of helium

The multi-configuration Dirac-Fock（MCDF） method is implemented to study doubly excited 2s2p ^1,3P₁ resonances of the helium atom and the interference between photoionization and photoexcitation autoionization processes.In order to reproduce the total photoionization sprectra,the excited energies from the ground 1s^{2 1}S₀ state to the doubly excited 2s2p ^1,3P₁ states and the relevant Auger decay rates and widths are calculated in detail.Furthermore,the interference profile determined by the so-called Fano parameters q and ρ² is also reproduced.Good agreement is found between the present results and other available theoretical and experimental results.This indeed shows a promising way to investigate the Fano resonances in photoionization of atoms within the MCDF scheme,although there are some discrepancies in the present calculations of the 2s2p ³P₁ state.     

类氖离子中的能级交叉及其对辐射光谱的影响

本文利用基于相对论多组态Dirc-Fock理论方法的程序包GRASP92以及新近发展的计算辐射跃迁的程序REOSS99，通过对电子关联效应、驰豫效应的系统考虑，计算了类氖等电子系列 (Z=21-92) 离子2p6, 2p53l, 2s2p63l(l=0,1,2)的能级结构和各能级间E1跃迁的波长以及跃迁几率；基于以上计算，详细研究了由于强组态相互作用引起的具有相同宇称和总角动量的能级间的交叉现象及其强组态相互作用对辐射跃迁几率的影响。     

Two-electron and one-photon transitions in highly charged nickel-like ions

This paper calculates the transition wavelengths and probabilities of the two-electron and one-photon (TEOP) transition from the $(3{\rm s}^{-1}_{1/2}4{\rm d}_{j})_{J=1,2}$ to $(3{\rm p}^{-1}_{3/2}4{\rm s}_{1/2})_{J=1}$ and the $(3{\rm p}^{-1}_{1/2}4{\rm s}_{1/2})_{J=1}$ to $(3{\rm d}^{-1}_{j}4{\rm d}_{j'})_{J=1,2}$ for highly charged Ni-like ions with atomic number $Z$ in the range $47\leq Z\leq92$. In the calculations, the multi-configuration Dirac--Fock method and corresponding program packages GRASP92 and REOS99 were used, and the relativistic effects, correlation effects and relaxation effects were considered systematically. It is found that the TEOP transitions are very sensitive to the correlation of electrons, and the probabilities will be enhanced sharply in some special $Z$ regions along the isoelectronic sequence. The present TEOP transition wavelengths are compared with the available data from some previous publications, good agreement is obtained.