类镍W46+、Au51+偶极跃迁的相对论多组态计算

本文基于全相对论Dirac-Fock方法,分别用GRASP0和GRASP2原子结构程序包计算了金和钨的类镍离子3d10-3d94p、3d10-3d94f、3p63d10-3p53d104s和3p63d10-3p53d104d之间的电偶极跃迁波长和振子强度,得到与实验相一致的结果;同时分析了组态相互作用和有限核体积分布效应对高Z高剥离态多荷电离子的原子结构参数的影响.     

类钴Rh18+离子3P63d9-3P53d10,3P63d9-3P63d84p跃迁的计算

用多组态自洽场方法，结合提出的半经验拟合公式，计算了高离化态类钴Rh^18 离子3p^63d^9—3p^53d^10，3p^63d^9—3p^63d^84p跃迁和振子强度，并与实验进行了比较．     

类钴Ag^20＋离子3p^63d^9—3p^53d^10，3p^63dv9—3p^63d^84p跃迁光谱的计算

用多组态自洽场方法，结合我们提出的半经验拟合公式，计算了高离化态类钴Ag^20＋离子3p^63d^9-3p^53d^10，3p^63dv9-3p^63d^84p跃迁和振子强度，并与实验符合得较好，     

组态相互作用对Fe^4＋不同跃迁系的影响

应用相对论组态相互作用方法，对Fe^4＋离子进行大规模组态相互作用的计算．对辐射跃迁几率（振子强度）的研究结果表明：组态相互作用对不同跃迁系的影响有很大的差异．对文献中报道比较多的3p^63d^34p→3p^63d^4跃迁系，影响较小；而对3p^53d^5→3p^63d^4和3p^53d^34f→3p^63d^4等跃迁系，影响非常强烈．目前的研究现状表明，对后两个跃迁系，并没有得到收敛的结果，有待于进一步的研究．     

49≤Z≤53类钴离子3d^9-3p^53d^10，3d^9-3d^84p跃迁谱线和振子强度的计算

用等电子序列高离化态离子能级△E随Zc的一般拟合公式,系统计算了中Z段49≤Z≤53类钴离子的能级,并给出了3d^9-3p^53d^10,3d^9-3d^84p跃迁的波长和振子强度。     

Auger图示对锰原子共振结构的影响

使用多体微扰理论(many-body perturbation theory，MBPT)计算了锰原子的3p^63d^54s^2→3p^53d^54s^2nd系列里德堡共振结构。在耦合方程方法中考虑了Auger图式，计算表明，Auger图式有效地抑制了3p→nd系列共振结构的发散。     

类钾离子组态3p63d磁偶极矩M1光谱跃迁

采用全相对论量子力学GRASP^2程序、广义平均能级EAL模型，在核的有限体积效应、Breit和QED效应的高阶扰动基础上，考虑到原子实的极化，系统地计算了高剥离类钾离子组态3p^6d(Z=22-42）磁偶极矩M1光谱跃迁的能级间隔、跃迁几率和振子强度，计算中选取4个非相对论输入组态3p^63d^1,3p^64s^1,3p^54s3d,3p^54s^2，将计算结果和最近文献的实验值进行比较，结果表明，考虑原子实极化效应后，计算的精细能级结构间隔与实验数据之间的系统误差基本消除。     

ZnⅪⅩ离子3d^2—3p^3d跃迁的多组态相对论理论计算

用多组态相对论理论对ZnⅪⅩ(离子3s^2，3s^3p，3p^2，3s3d，3p3d，3d^2，3s4s，3s4p，3s4f组态能级结构进行了计算与分析。在已有实验工作的基础上，运用参数拟合方法计算了ZnⅪⅩ(离子上述组态能级，获得了能级结构参数的最佳计算值。由这些参数值进一步预测计算了ZnⅪⅩ离子n=3Complex中3d^2-3p3d组态能级跃迁的谱线波长，振子强度和跃迁概率。     

激光偏振参量对光场感生电离电子碰撞机制等离子体电离参量的影响

以基于光场感生电离电子碰撞机制的类钯氙系统为例，计算并讨论了不同抽运激光偏振对等离子体的电离速率、阈值激光强度、电子在激光场中的剩余能量、各电荷态相对集居数、初始电子能量分布等电离参量的影响，计算结果表明，在相同的激光功率密度下，激光偏振对类钯氙41.8nm4d^95d^1S0-4d^95p^1P1跃迁的X射线激光放大影响很大，圆偏振激光抽运更有利于类钯氙41.8nm4d^95d^1S0-4d^95p^1P1跃迁的X射线激光放大的实现。     

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Z类钴Te25+离子3p63d9-3p53d10,3p63d9-3p63d84p跃迁及振子强度的计算

用多组态自洽场方法,结合我们提出的半经验拟合公式,计算了高Z类钴Te25+离子3p63d9-3p53d10,3p63d9-3p63d84p跃迁和振子强度,与实验符合得较好。     

与闪电过程有关的NⅡ离子能级寿命的理论计算

用相对论多组态Dirac-Fock方法，系统地计算了与闪电过程有关的NⅡ离子2p^2,2s2p^3,2p3s,2p3p,2p3d组态能级之间的辐射跃迁概率，并由此推算出这些组态的35个能级的寿命，计算中考虑了相对论效应，电子交联，延迟效应等重要贡献，与已有的理论计算比较，目前计算的结果更接近最新实验值，据此，进一步给出了2p3d^3F能级寿命新的理论预言值。     

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．     

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.     

类钴pd19+离子3p63d9-3p53d10,3p63d9-3p63d84p跃迁的理论计算

用多组态自洽场方法,结合我们提出的半经验拟合公式,计算了高离化态类钴3p63d9-3p53d10,3p63d9-3p63d84p跃迁和振子强度,并与实验符合得较好.     

类钴Ag20+离子3p63d9-3p53d10,3p63d9-3p63d84p跃迁光谱的计算

用多组态自洽场方法,结合我们提出的半经验拟合公式,计算了高离化态类钴Ag20 离子3p63d9-3p53d10,3p63d9-3p63d84p跃迁和振子强度,并与实验符合得较好.     

类钴Pd19+离子3p63d9-3p53d10,3p63d9-3p83d84p跃迁的计算

用多组态自洽场方法,结合我们提出的半经验拟合公式,计算了高离化态类钴Pd19+离子3p63d9-3p53d10,3p63d9-3p83d84p跃迁和振子强度,并与实验符合得较好。     

Electron impact excitation of Ni-like gold studied by Dirac R-matrix method

We calculate the electron impact excitation of Ni-like gold by using the Dirac R-matrix theory, and the corresponding collision strengths and effective collision strengths are obtained. In the calculations of the level energy,(1s22s22p6)3s23p63d10, 3s23p63d94 l, 3s23p53d104 l, and 3s3p63d104l(l = 0,1,2,3) configurations are included and 107fine-structure levels are generated. In the calculations of the collision strengths, only the first 59 levels are included. Comparisons are made with the distorted wave(DW) results of Zeng et al. for both collision strengths and effective collision strengths. For the collision strengths, the two sets of calculations are in excellent agreement for most of the transitions.However, because of the inclusion of the resonances, our effective collision strengths are generally several times larger than those of Zeng et al.. The accuracy of our calculations is assessed.     

Effects of Configuration Interaction on Dielectronic Recombination of Cu-Like Gold Ion through 3d+ e →4l''l'''' Capture Process

Effects of configuration interaction on dielectronic recombination of Cu-fike gold ions through the 3d ＋ e→4l′4l″ capture process are studied in the models of isolated configurations approximation, configuration mixing within 3d^94s4l′4″, and configuration mixing within 3d^94l4l′4l″ （l≥ 0）, employing a relativistic distorted-wave approximation. Nonresonant raditive stabilizing transitions and decays to autoionizing levels followed by radiative cascades, as well as resonant stabilizing transitions from the resonant levels, are taken into account. The additional mixing with 3d^94l4l′4l″ （0 〈 l 〈 l′ 〈l″≤ 3） shifts slightly the peaks of cross section towards low energy. The rate coefficient at low temperature is dramatically changed. The rate coefficient at temperature above 100 eV is enhanced by a factor between 26% and 13%.     

GeⅩⅪ-SeⅩⅩⅢ离子n=3，△n=0跃迁谱线和振子强度的计算

用HFR方法对CaⅨ-KrⅩⅩⅤ离子3s^2，3s^3P，3s3d，3p^2组态能级结构进行了理论计算。在已有实验研究的基础上，通过分析离子能级沿等电子序列的变化规律，运用最小二乘拟合方法预言计算了GeⅩⅪ-SeⅩⅩⅢ离子3s^2，3s^3P，3s3d，3p^2组态14条精细结构能级值。在此基础上，进一步计算了GeⅩⅪ-SeⅩⅩⅢ离子3s^2-3s3p，3s3p-3s3d和3s3p-3p^2跃迁的23条谱线波长和相应的振子强度。计算结果与已有的实验值十分吻合，波长的最大不确定度为0．008nm。