Re30+离子双电子复合速率系数的理论研究

复杂结构离子的双电子复合速率系数在极紫外光刻光源、核聚变等应用研究的等离子体光谱模拟和诊断中具有重要的应用价值。利用全相对论组态相互作用方法,详细计算了基组态为4p64d9的Re30+离子经双激发态（4p64d9）-1nln'l'（n=4~6,n'=4~23）的双电子复合（DR）过程。研究分析了激发、辐射通道,组态相互作用,级联退激对DR速率系数的影响。其中内壳层4p电子激发的DR速率系数是总DR速率系数的28.2%~44.9%,所以内壳层4p电子激发的贡献不可以忽略。级联退激对DR速率系数的最大贡献为12.9%,也必须要予以考虑。通过对双电子复合、辐射复合、以及三体复合速率系数的比较,辐射复合速率系数的最大值为DR速率系数的22.6%,三体复合速率系数的最大值仅为DR速率系数的0.3%。因此,DR速率系数远远大于辐射复合和三体复合速率系数。该结果表明DR过程对于等离子体离化态分布、能级布居以及光谱模拟都极为重要。为了方便应用,对基态和第一激发态的总DR速率系数进行了参数拟合。该研究结果将为Re激光等离子体的光谱模拟及复杂结构离子DR过程的进一步研究提供参考。Dielectronic recombination (DR) rate coefficients of complex ions are very important in some application research, such as extreme ultraviolet lithography and nuclear fusion. Based on the fully relativistic configuration interaction method, theoretical calculations are carried out to research the DR processes, in which Re30+ ions in the ground state 4p64d9 to (4p64d9)-1nln'l'(n=4~6, n'=4~23). Influence of excitation and radiation channels, configuration interaction, the effect of decays to autoionizing levels possibly followed by radiative cascades (DAC) are analyzed. The contributions through 4p subshell excitations to the total rate coefficient are 28.2%~44.9% in the whole temperature region. Hence the contributions from inner-shell electron excitation are very important. The contributions from the DAC transitions increase smoothly with the increasing temperature and are about 12.9% at 50 000 eV. The contributions of DAC can not be neglected. By means of compared total DR rate coefficients to radiative recombination rate coefficients and three-body recombination rate coefficients, it shows that the maximum value of the radiation recombination rate coefficient is 22.6% of the DR rate coefficient and the maximum value of the three-body recombination rate coefficient is only 0.3% of the DR rate coefficient. The total DR rate coefficient is greater than either the radiative recombination or three-body recombination coefficients in the whole temperature range. The corresponding DR process is very important for plasma ionization distribution, population level and spectrum simulation. In addition to facilitate the application, the total DR rate coefficients for the ground state and the first excited state are fitted to an empirical formula. These results will provide the reference for the further analyses of rhenium laser plasma spectrum simulation and the complex structures ions DR process.     

类硼氧离子基态双电子复合速率系数的研究

由于氧广泛存在于星际物质中,对氧等离子体的诊断十分重要。双电子复合速率系数是对等离子体平衡状态诊断的重要参数。本文采用全相对论Flexible atomic code(FAC)研究了类硼氧离子从基态2s22p1(J=1/2)俘获电子,经过2s12p2 n′l′双激发态通道的双电子复合速率系数。忽略贡献很小的辐射级联效应,考虑组态相关,细致计算了n′≤9,l′≤n′-1的所有组态。使用了n′-3标度规律采用组态-组态外推法计算,计算了n′≤1000的所有组态总双电子复合速率系数。分析了双电子复合速率系数与不同被俘获轨道主量子数n′和轨道量子数l′的关系,认为对双电子复合其主要贡献的是n′=3和n′=5,且DR系数在l′=2时出现峰值。即基态通过2s2p2 n′l′的双电子复合伴线光谱中最强的光谱线对应跃迁为2s2p23d的双电子复合过程。该通道总的DR系数随温度升高而先增后减,在0.5eV左右出现最大值,认为此温度下双电子复合效率最高。低温时对于n′较大的组态可以忽略,高温时则需要考虑。     

W44+ 离子双电子复合速率系数的理论研究

利用全相对论组态相互作用方法,详细研究了W44+ 离子从基组态3s23p63d104s2俘获一个电子形成双激发态(3s23p63d104s2)nln′l′(n = 4 ~ 6,n′= 4 ~7) 的双电子复合(DR) 过程。通过比较不同壳层电子激发的DR 速率系数,得知4s 电子激发和3d 电子激发的DR 速率系数分别在低温和中高温度时给出了主要贡献,得到了主要的电子激发DR通道。在1 eV~50 keV 温度范围内,计算了n = 4~18 的DR速率系数,并外推到了n= 100,得到总DR 速率系数。比较总DR 速率系数、三体复合(TBR) 以及辐射复合(RR) 速率系数,结果表明DR 速率系数在研究的温度范围内远大于TBR 和RR 速率系数,其将明显地影响ITER 等离子体的电离平衡和离化态布居。Based on the fully relativistic configuration interaction method, theoretical calculations are carried out to research the dielectronic recombination (DR) processes, in which W44+ ions in the ground state 3s23p63d104s2 trap an electron to form doubly excited states (3s23p63d104s2)nln’l’(n =4~6,n′= 4~7). The comparison of the DR rate coefficients of different shells shows that DR approach is as follow: the 4s subshell excitation dominates to DR at low temperature, but 3d subshell excitation attributes to DR at high temperature. Total DR rate coefficients from n=4~18 are evaluated directly, and the results are extrapolated up to n = 100 in the temperature range from 1 to 5×104 eV, and thus get the total DR rate coefficients. Compared total DR rate coefficients to three-body recombination (TBR) rate coefficients and radiative recombination (RR) rate coefficients, it showed that the total DR rate coefficients obviously significantly greater than other two recombination rate coefficients, and thus it obviously influence ionization equilibrium and ionization state population of ITER plasma.     

Dielectronic recombination of Co-like tantalum

Ab initio calculation of the total dielectronic recombination (DR) rate coefficient from the ground state of Co-like tantalum is performed using the relativistic distorted-wave approximation with configuration interaction. The contributions to the total DR rate coefficients are explicitly calculated from the complexes of Ni-like tantalum: 3s²3p⁶3d_3/2³ 3d_5/2⁶ n'l', 3s²3p⁵3d¹⁰n'l', 3s3p⁶3d¹⁰n'l', 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and 3s3p⁶3d⁹4ln'l' with n' ≤ 25, and 3s²3p⁶3d⁸5ln'l' with n' ≤ 9. The l' and n' dependences of partial DR rate coefficients are investigated. The contributions from higher n'complexes are evaluated by a level-by-level extrapolation method. The total DR rate coefficients mainly come from the complex series 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and are fitted to an empirical formula with high accuracy. Comparison of the present results with those of other works shows that the previously published data underestimate significantly the DR rates of Co-like tantalum.     

Statistical Model of Dielectronic Recombination of Heavy Ions in Plasmas

Calculation of the total dielectronic recombination (DR) rates was done in the frame of a statistical model of atoms. The model is based on the idea of collective excitations of atomic electrons with the local plasma frequency, which depends on atomic electrons density distribution. The electron density is described in a frame of the Thomas‐Fermi model of atoms. Simple scaling laws for temperature T_e and nuclear charge Z dependences follow from the statistical model of DR. Results of the statistical model were compared with other numerical data following detailed level‐by‐level computations for different multielectron ions. The specific attention is paid to Ni‐like ion sequences of different chemical elements in order to check the Z ‐dependence of DR rates. A comparison with numerical data of Flexible Atomic Code (FAC) is presented for tungsten ions. The reasonable correspondence between the statistical model and the detailed numerical data is demonstrated. The application of the statistical model provides very simple and fast calculations of the DR rates useful in modern plasma modelling. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

基态类Ne锗离子双电子复合的半相对论计算

采用半相对论多组态Ｈａｒｔｒｅｅ一Ｆｏｃｋ模型，计算了类Ｎｅ锗离子经过３ｌ３ｌ＇和４ｌ４ｌ＇双激发态到类Ｎａ离子单激发态的态对态双电子复合速率系数，同时给出了描写上述复合过程的参数Ｂ和。通过对求和而获得的部分双电子复合速率系数与其它理论计算结果进行了比较。     

组态相互作用和相对论修正对类He离子双电子谱的影响

研究了组态相互作用和相对论修正对低Z(原子序数)及中等Z类He离子双电子谱的影响,使用准相对论及非相对论的Hartree-Fock自洽场方法计算了描写双电子伴线的原子参数。计算结果表明,(1)组态相互作用对类He离子双电子诺有显著影响;(2)对中等Z的类He离子,仅以能量微扰的形式计入相对论修正是不足够的,为了获得更加精确的计算结果,不仅要考虑相对论修正对单、双激发态能量的影响,而且要考虑该效应对径向波函数的影响。     

氙激光等离子体的双电子复合过程研究(英文)

在自旋-轨道劈裂阵模型下,通过类铜的内壳层激发组态计算了类镍氙的双电子复合速率系数,其中考虑了共振和非共振辐射平衡跃迁对自电离能级的影响,而忽略了因碰撞跃迁引起的电子俘获,非共振辐射平衡跃迁在低电子温度条件下主要影响双电子复合过程;本文讨论了双电子复合系数及双电子伴线强度比随电子温度的变化.     

Dielectronic recombination and resonant transfer excitation processes for helium-like krypton

The relativistic configuration interaction method is employed to calculate the dielectronic recombination(DR) cross sections of helium-like krypton via the 1s2lnl ’(n = 2,3,...,15) resonances.Then,the resonant transfer excitation(RTE) processes of Kr 34+ colliding with H,He,H 2,and CH x(x = 0-4) targets are investigated under the impulse approximation.The needed Compton profiles of targets are obtained from the Hartree-Fock wave functions.The RTE cross sections are strongly dependent on DR resonant energies and strengths,and the electron momentum distributions of the target.For H 2 and H targets,the ratio of their RTE cross sections changes from 1.85 for the 1s2l2l ’ to 1.88 for other resonances,which demonstrates the weak molecular effects on the Compton profiles of H 2.For CH x(x = 0-4) targets,the main contribution to the RTE cross section comes from the carbon atom since carbon carries 6 electrons;as the number of hydrogen increases in CH x,the RTE cross section almost increases by the same value,displaying the strong separate atom character for the hydrogen.However,further comparison of the individual orbital contributions of C(2p,2s,1s) and CH 4(1t 2,2a 1,1a 1) to the RTE cross sections shows that the molecular effects induce differences of about 25.1%,19.9%,and 0.2% between 2p-1t 2,2s-2a 1,and 1s-1a 1 orbitals,respectively.     

Dielectronic recombination rate coefficient for Cu-like Au^50＋ ion

The rate coefficients α^{DR} of dielectronic recombination (DR) for Cu-like Au^{50+} ion collided with the incident free electron are calculated based on the quasi-relativistic multi-configuration Hartree－Fock theory. The results clearly show that the α^{DR} of all recombination channels exhibits resonance characters with electron temperature. At lower temperatures, the recombination for electrons caused by 4s excitation is dominant through outer electron radiative transitions among the intermediate doubly excited autoionizing levels, in which the most components come from 3d^{10}5pns states, whereas with increasing electron temperature, DR caused by 3d excitation turns out to be dominant, and the contribution from the 3d^94s4fnf state to the total rate coefficient of electron 3d is the largest with α^{DR}=1.15×10^{- 11} cm^3·s^{-1} at an electron temperature of T_e=0.35 keV. Under this condition, there exists a strong competition between the two types of recombination channels.     

离子和冷却电子重组的高分辨谱研究(英文)

给出了在CRYRING重离子储存环上测量到的在很低能量下电子与离子重组的最新实验结果和有关速率系数增强的新的数据 .主要讨论类锂、类钠和类铜离子的共振双电子重组的新近测量结果 ,以及从这些共振谱中所导出的非常精确的离子能级劈裂值 ,从而将严格检验相对论效应、电子关联效应和量子电动力学效应 .其中 ,对类锂Kr3 3 + 离子 2s1/2 能级Lamb移位的确定精度达到了0 .1%. We present our latest results on recombination of electrons with ions at very low energies obtained at the CRYRING heavy-ion storage ring. New data on the enhanced rate coefficient are shown. Then we concentrate on recent measurements of dielectronic recombination resonances with Li-like, Na-like, and Cu-like ions, where from the spectra of resonances very accurate values for energy splittings are derived for crucial tests of relativistic, correlation, and QED effects.     

重离子冷却储存环CSRm双电子复合实验研究类锂36,40Ar15+离子同位素移动

配备电子冷却装置的重离子储存环为开展高电荷态离子的双电子复合（dielectronic recombination,DR）精密谱学研究提供了绝佳的实验平台。本工作在兰州重离子加速器冷却储存环主环（HIRFL-CSRm）上开展了类锂36,40Ar15+离子的双电子复合实验,实验观测了电子-离子质心系能量范围为0~35 eV的双电子复合速率系数谱。通过外推法获得了36,40Ar15+离子2s_1/2→2p_1/2和2s_1/2→2p_3/2的跃迁能量。同时利用GRASP2K程序理论计算了36,40Ar15+离子2s_1/2→2p_1/2和2s_1/2→2p_3/2跃迁的质量移动因子和场移动因子,进而得到双电子复合谱的同位素移动值。36,40Ar15+离子2s_1/2→2p_1/2和2s_1/2→2p_3/2同位素移动分别为0.861 meV和0.868 meV。它们均小于目前CSRm上双电子复合实验的实验分辨为~10 meV,进而解释了实验测量的DR谱上未能观察到同位素移动的原因。然而,高电荷态离子的同位素移动场效应与原子序数Z5成正比,因此,在重离子加速器冷却储存环实验环（HIRFL-CSRe）以及未来大型加速器--强流重离子加速器装置（HIAF）上有望通过DR精密谱学方法研究高电荷态重离子甚至放射性离子的同位素移动,进而获得相关原子核的核电荷半径等信息。The cooler storage ring is equipped with an electron-cooler. It is an excellent experimental platform for dielectronic recombination (DR) experiment of highly-charged ions. In this paper, the dielectronic recombination experiments of lithium-like Ar15+ ions with mass number 36 and 40 are conducted at the HIRFL-CSRm(main ring of the Cooling Storage Ring of Heavy Ion Research Facility in Lanzhou). The experimental electron-ion collision energy scale is from 0 eV to 35 eV. Extrapolation method is exploited to obtain the excitation energies of transitions 2s_1/2→2p_1/2 and 2s_1/2→2p_3/2 of the 36,40Ar15+ ions from experimental data. Meanwhile, GRASP2K program is utilized to calculate the mass shift factors and field shift factors of 36,40Ar15+ ions for 2s_1/2→2p_1/2 and 2s_1/2→2p_3/2 transitions to obtain isotope shifts in DR spectra. In theoretical calculation, isotope shifts of 36,40Ar15+ ions corresponding to 2s_1/2→2p_1/2 and 2s_1/2→2p_3/2 are 0.861 meV and 0.868 meV, respectively. They are both less than the experimental precision (~10 meV) of these dielectronic recombination experiments at the CSRm, which explains that isotope shifts cannot be distinguished from the experimental dielectronic recombination spectra. However, the field shift of highly-charged ions is proportional to Z5. In the future, the dielectronic recombination experiments of highly-charged heavy ions even radioactive ions will be conducted at the HIRFL-CSRe (experimental ring of the Cooling Storage Ring of Heavy Ion Research Facility in Lanzhou) and the future large accelerator facility--HIAF(High intensity Heavy-ion Accelerator Facility) to measure isotope shifts to obtain the nuclear charge radius information.     

高Z等离子体中的双电子复合与电子碰撞激发

采用准相对论性Hartree-Fock-Relativistic方法与不可分辨跃迁组模型相结合,对Au和Ta元素的类Ni离子的双电子复合速率,以及Au元素类Cu离子的电子碰撞激发速率进行了计算。计算结果表明,对于Au类Ni离子的3d10-3d94l5f-3d104l双电子复合过程以及类Cu离子的3d104l-3d94l5f电子碰撞激发过程,当电子温度高于1.0 keV时,电子离子碰撞激发速率随电子温度增加而增加,双电子复合速率随电子温度增加而减小,并且电子碰撞激发对谱线辐射的贡献要比双电子复合大得多。     

Au激光等离子体的双电子复合速率系数

基于准相对论多组态HartreeFock理论和扭曲波近似,采用组态平均的方法,从头计算了类铁金离子类镓金离子的双电子复合速率系数,计算中包含了大量稠密的自电离能级,由于宽广的自电离能级分布和极其复杂的级联效应,造成高Z材料Au的双电子复合速率系数不同于低Z元素的特征,与现有文献的类镍金离子比较,结果表明,在“神光Ⅱ”实验装置诊断的电子温度约为2keV,电子密度约为6×1021cm-3,Au激光等离子体不同理论之间的双电子复合速率系数误差不到10%.这对于使用超组态碰撞辐射模型模拟Au的激光等离子体M带细致 关键词： 双电子复合 类铁金离子类镓金离子 复合速率系数     

钨离子双电子复合过程的理论研究

摘要: 利用全相对论组态相互作用理论方法, 研究了W28+离子由基态俘获一个电子形成双激发态(3d104s24p64d10 )-1 nln''l''(n = 4~6, n'' = 4~15)的双电子复合(DR)过程. 比较分析了3s、3p、3d、4s、4p和4d电子激发对DR速率系数的贡献, 分析了3d、4s、4p和4d电子激发的DR速率系数随轨道量子数l'' 的变化. 考虑和已有的计算完全相同的初态, 中间双激发态以及辐射和俄歇末态的情况下, 得到了和已有的计算符合很好的结果. 在综合了分析得到的对W28+离子DR过程有明显贡献的各种因素后,进一步得到了总DR速率系数. 其中, 考虑DAC效应对总DR速率系数有不可忽略的影响. 对DR速率系数进行了参数拟合, 拟合值与计算值的偏差小于1％.     

钨离子双电子复合过程的理论研究

利用全相对论组态相互作用理论方法, 研究了W28+离子由基态俘获一个电子形成双激发态(3d104s24p64d10 )-1 nln'l'(n = 4~6, n' = 4~15)的双电子复合(DR)过程. 比较分析了3s、3p、3d、4s、4p和4d电子激发对DR速率系数的贡献, 分析了3d、4s、4p和4d电子激发的DR速率系数随轨道量子数l' 的变化. 考虑和已有的计算完全相同的初态, 中间双激发态以及辐射和俄歇末态的情况下, 得到了和已有的计算符合很好的结果. 在综合了分析得到的对W28+离子DR过程有明显贡献的各种因素后,进一步得到了总DR速率系数. 其中, 考虑DAC效应对总DR速率系数有不可忽略的影响. 对DR速率系数进行了参数拟合, 拟合值与计算值的偏差小于1％.     

Accurate Calculations on Dielectronic Recombination Resonances in Cu-like Pb

Dielectronic recombination of Pb⁵³⁺ has been studied and a resonance is detected only ∼0.1 meV above the ground state. The possibility to determine the 4p _1/2−4s _1/2 energy splitting with a similar accuracy from the determination of the resonance position is discussed. Such a precision can only be achieved by calculations which treat QED in a many-body environment at levels which can still not be reached. A fully relativistic many-body calculation of the splitting is described and the uncertainties are discussed. This revised version was published online in July 2006 with corrections to the Cover Date.     

Rapid evaluation for dielectronic recombination rate coefficients of Ni－like ions Gd and Ta

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DIELECTRONIC RECOMBINATION RATE COEFFICIENTS FOR NEONLIKE IONS

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DIELECTRONIC RECOMBINATION OF Co-LIKE Ag AND Ta IONS

Ab initio calculations of the rate coefficients for dielectronic recombination (DR) of Co-like Ag and Ta ions are performed based on Cowan's quasi-relativistic multi-configuration Hartree－Fock code. Co-like (3s ²3p⁶3d¹⁰)^-1 configurations and Ni-like (3s²3p⁶3d¹⁰)^-24l4l' autoionization configurations are included in the present calculation. Because of the extensive distribution of autoionization state energy levels, the DR rate coefficients cannot be reproduced or interpolated by a simple analytical formula, such as the Burgess－Merts formula, or the Hagelstein approximation. We propose to use multi-set Hagelstein parameters, which is convenient in practice and can reproduce well the ab initio calculated DR rate coefficients.