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.     

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

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％.     

W~(28+)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理论方法,研究了W~(28+)离子由基态俘获一个电子形成双激发态(3d~(10)4s~24p~64d~(10))~(-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W~(28+)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

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％.     

Au52+离子的双电子复合速率系数

利用基于相对论组态混合的扭曲波近似方法计算了从类钴金离子的基态3s23p63d9(J=5/2)经过类镍的3l17nl″和3l164l′nl″电子组态的双电子复合速率系数,并考虑了级联辐射到可自电离能级退激的影响,给出了包含级联辐射在内的能级到能级的外推方法.     

Au52+离子的双电子复合速率系数

利用基于相对论组态混合的扭曲波近似方法计算了从类钴金离子的基态3s23p63d9(J=5/2) 经过类镍的3l17nl"和3l164l'nl"电子组态的双电子复合速率系数,并考虑了级联辐射到可自电离能级退激的影响,给出了包含级联辐射在内的能级到能级的外推方法.     

Auq+(q=53-47)激光等离子体的辐射复合速率系数

辐射复合过程在超组态碰撞辐射(SCROLL)模型中真实模拟非局域热动力学平衡(non-LTE)高Z材料Au激光等离子体M带谱5f-3d跃迁中各种复杂离子的电离态特性是一个主要过程.基于准相对论多组态Hartree-Fock理论和扭曲波近似,采用组态平均的方法,从头计算了金M带类铁金离子-类锗金离子的辐射复合速率系数,计算过程中包含了大量的单激发和双激发态,结果表明高Z元素由于自电离能级的广泛分布和复杂的级联效应,致使高Z元素的辐射复合系数不同于低Z元素的,其计算结果可用来模拟Au的激光等离子体M带5f-3d跃迁的平均电离度和电荷态分布及能级布居数.     

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。     

Au^52＋离子的双电子复合速率系数

利用基于相对论组态混合的扭曲波近似方法计算了从类钴金离子的基态3s^23p^63d^9（J=5／2）经过类镍的3l^17nl＂和3l^164l’nl＂电子组态的双电子复合速率系数，并考虑了级联辐射到可自电离能级退激的影响，给出了包含级联辐射在内的能级到能级的外推方法．     

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 Sn^10＋ Ions and Related Satellite Spectra

Based on the multi-configuration Dirac-Fock method, theoretical calculations are carried out for the dielectronic recombination （DR） rate coefficients and the collision excitation rate coefficients of Sn^10＋ ions. It is found that the total DR rate coefficient has its maximum value between 10eV and 100eV and is greater than either the radiative recombination or three-body recombination rate coefficients （the number of free electrons per unit is 10^21 cm^3） for the ease of Te 〉 1 eV. Therefore, DR can strongly influence the ionization balance of laser produced multi-charged tin ions. The related dieleetronie satellite cannot be ignored at low temperature Te 〈 5 eV.     

Xe8+离子双电子复合速率系数的理论研究

利用基于全相对论组态相互作用理论的FAC程序包, 详细研究了温度在0.1~1650 eV范围内Xe8+离子的双电子复合(DR)过程。 通过比较4s, 4p和4d壳层电子激发的双电子复合速率系数, 发现温度在10 eV以上时, 内壳层4p电子激发的双电子复合速率数对总双电子复合速率系数有很重要的贡献, 而4s电子激发对总双电子复合速率数贡献小于7.5%。 给出了△n=0, 1和2 三类芯激发对总双电子复合速率系数的贡献以及自由电子俘获到不同主量子数的双电子复合速率系数, 发现△n=2的芯激发和n′＞15的DR速率系数对总DR速率系数的贡献也很重要。 进一步给出了△n=0, 1和2 三类芯激发和总DR速率系数的拟合参数, 拟合结果和计算值符合, 偏差小于1%。 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得知, 在温度高于1 eV时, DR过程是Xe8+离子的主要复合过程。Based on the fully relativistic configuration interaction method, theoretical calculations are carried out for the dielectronic recombination (DR) rate coefficients of Xe8+ ions in the temperature region from 0.1 to 1 650 eV. The comparison of the DR rate coefficients from 4s, 4p and 4d subshell excitations shows that 4d subshell excitation dominates in the whole temperature region. The contribution from 4p subshell excitation is very important at temperature above 10 eV and the contributions from 4s subshell excitation is lower than 7.5% in the whole temperature region. Similarly, the comparison of the DR rate coefficients through △n=0, 1 and 2 core excitation shows that the contribution from △n=2 core excitation can not be neglected, the contributions from n′＞15 can also not be neglected. The DR rate coefficients of △n=0, 1 and 2 core excitation and the total DR rate coefficients are fitted with some parameters, which are in good agreement with theoretical calculations values (within 1% difference). The total DR rate coefficients are greater than radiative recombination (RR) and three body recombination (TBR) rate coefficients at temperature above 1 eV. Therefore, the DR process can strongly influence the ionization balance of laser produced xenon plasmas.     

Total dielectronic recombination rate coefficient for Co-like tungsten

Ab initio calculation of the total dielectronic recombination (DR) rate coefficient from the ground state 3s²3p⁶3d⁹(J=5/2) of Co-like tungsten is performed employing the relativistic distorted-wave approximation with configuration-interaction. The DR contributions mainly come from complex series 3d⁸4ln′l′. The complex series 3p⁵3d¹⁰n′l′, 3p⁵3d⁹4ln′l′ and 3d⁸5ln′l′ also contribute significantly to the total DR rates at relatively high electron temperatures. The l′ and n′ dependences of the partial rate coefficient are investigated. The inclusion of decays into autoionizing levels followed by radiative cascades (DAC) enlarges the total DR rate coefficients by a factor of about 10%. The level-by-level extrapolation method is developed to include DAC effects. The total DR rate coefficients are fitted to an empirical formula. It is shown that at temperatures above 2.5 keV the Burgess-Merts (BM) semiempirical formula can provide DR results with an accuracy of about 15%, whereas at electron temperatures below 100 eV it underestimates the DR rate coefficients by up to a few orders of magnitude and its temperature dependence is completely inadequate. The comparison of the results for Ni-like and Co-like tungsten shows that these two sets of DR rate coefficients are very close in magnitude at relatively high electron temperatures.     

Enhancement of electron–ion recombination rates at low energy range in the heavy ion storage ring CSRm

Recombination of Ar¹⁴⁺, Ar¹⁵⁺, Ca¹⁶⁺, and Ni¹⁹⁺ ions with electrons has been investigated at low energy range based on the merged-beam method at the main cooler storage ring CSRm in the Institute of Modern Physics, Lanzhou,China. For each ion, the absolute recombination rate coefficients have been measured with electron–ion collision energies from 0 meV to 1000 meV which include the radiative recombination(RR) and also dielectronic recombination(DR)processes. In order to interpret the measured results, RR cross sections were obtained from a modified version of the semiclassical Bethe and Salpeter formula for hydrogenic ions. DR cross sections were calculated by a relativistic configuration interaction method using the flexible atomic code(FAC) and AUTOSTRUCTURE code in this energy range. The calculated RR + DR rate coefficients show a good agreement with the measured value at the collision energy above 100 meV.However, large discrepancies have been found at low energy range especially below 10 meV, and the experimental results show a strong enhancement relative to the theoretical RR rate coefficients. For the electron–ion collision energy below 1 meV, it was found that the experimentally observed recombination rates are higher than the theoretically predicted and fitted rates by a factor of 1.5 to 3.9. The strong dependence of RR rate coefficient enhancement on the charge state of the ions has been found with the scaling rule of q^3.0, reproducing the low-energy recombination enhancement effects found in other previous experiments.     

Statistical dielectronic recombination rates for multielectron ions in plasma

We describe the general analytic derivation of the dielectronic recombination (DR) rate coefficient for multielectron ions in a plasma based on the statistical theory of an atom in terms of the spatial distribution of the atomic electron density. The dielectronic recombination rates for complex multielectron tungsten ions are calculated numerically in a wide range of variation of the plasma temperature, which is important for modern nuclear fusion studies. The results of statistical theory are compared with the data obtained using level-by-level codes ADPAK, FAC, HULLAC, and experimental results. We consider different statistical DR models based on the Thomas–Fermi distribution, viz., integral and differential with respect to the orbital angular momenta of the ion core and the trapped electron, as well as the Rost model, which is an analog of the Frank–Condon model as applied to atomic structures. In view of its universality and relative simplicity, the statistical approach can be used for obtaining express estimates of the dielectronic recombination rate coefficients in complex calculations of the parameters of the thermonuclear plasmas. The application of statistical methods also provides information for the dielectronic recombination rates with much smaller computer time expenditures as compared to available level-by-level codes.     

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.     

DIELECTRONIC RECOMBINATION RATE COEFFICIENTS FOR NEONLIKE IONS

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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.