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。     

Double-hump resonance structure of the cross sections for electron impact ionization of Ar^5 ＋

Configuration-average distorted-wave calculations are carried out for electron-impact ionization of Ar^5 ＋ .Both direct ionization and the indirect excitation autoionization processes are included in our calculations. Our theoretical values are in quite reasonable agreement with the experimental data. The indirect processes contribute upto 50% to the total ionization cross sections. The possible origin of double-hump resonance structure of the crcessections is demonstrated and the contributions of metastable states are also taken into account.     

高l态对镁原子自电离光谱的影响

采用多通道量子数亏损理论与Ｋ反应矩阵相结合的理论处理方法，研究了高ｌ组态３ｐｍｌ、（ｌ＝４）对于镁原子３ｐｎｄ（Ｊ＝３）自电离光谱的影响．在处理中引入３ｐｎｇ（Ｊ＝３）组态的影响后能够完整地描述３ｐｐｎｄ（Ｊ＝３）自电离光谱．通过对自电离光谱的细微结构的研究，讨论了有关的实验现象的物理机制．理论结果与实验一致．     

铕原子奇宇称高激发态共振电离光谱的研究

采用光电离探测和自电离探测这两种不同的探测方法对铕原子的高激发态光谱进行了详细研究.一方面,采用光电离探测技术,系统测量了在第一电离限之下处于43927—45010 cm^-1能域内的奇宇称能级的光谱.通过光谱定标和误差估算等分析手段,获得了32个共振跃迁峰的位置和强度等光谱信息.并根据所用的激发路线和相关的选择定则等原理,进而确定了这些能级的总角动量. 通过与相关文献资料的对比和分析,研究发现了12个新能级.另一方面,精心设计了一种能够有效识别不同类型高激发态的鉴别方法.对同一能域中 关键词： Eu原子光谱 奇宇称高激发态 孤立实激发（ICE） 自电离探测     

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。     

STUDY OF BRANCHING RATIONS OF 3p3/2nd (J=1,3) AUTOIONIZING SERIES OF NEUTRAL MAGNESIUM

With the K matrix and multichannel quantum defect theory, we have studied the branching ratios of 3p_3/2nd (J=1,3) autoionizing series of Mg above the 3p_1/2 ion limit. The calculations are compared with the previous experimental spectra, and the unmeasured branching ratios are presented. The conclusion is that 3p_3/2nd state prepared by the three-step excitation can form population inversion between the 3p_1/2 and 3s_1/2 ionic states.     

Stereoselectivity in Autoionization Reactions of Hydrogenated Molecules by Metastable Noble Gas Atoms: The Role of Electronic Couplings

Focus in the present paper is on the analysis of total and partial ionization cross sections, measured in absolute value as a function of the collision energy, representative of the probability of ionic product formation in selected electronic states in Ne*?H₂O, H₂S, and NH₃ collisions. In order to characterize the imaginary part of the optical potential, related to electronic couplings, we generalize a methodology to obtain direct information on the opacity function of these reactions. Such a methodology has been recently exploited to test the real part of the optical potential (S. Falcinelli et al., Chem. Eur. J., 2016 , 22, 764–771). Depending on the balance of noncovalent contributions, the real part controls the approach of neutral reactants, the removal of ionic products, and the structure of the transition state. Strength, range, and stereoselectivity of electronic couplings, triggering these and many other reactions, are directly obtained from the present investigation.     

Double-hump resonance structure of the cross sections for electron impact ionization of Ar5+

Configuration-average distorted-wave calculations are carried out for electron-impact ionization of Ar5+. Both direct ionization and the indirect excitation autoionization processes are included in our calculations. Our theoretical values are in quite reasonable agreement with the experimental data. The indirect processes contribute up to 50% to the total ionization cross sections. The possible origin of double-hump resonance structure of the cross sections is demonstrated and the contributions of metastable states are also taken into account.     

DIELECTRONIC RECOMBINATION RATE COEFFICIENTS FOR NEONLIKE IONS

ＤＩＥＬＥＣＴＲＯＮＩＣＲＥＣＯＭＢＩＮＡＴＩＯＮＲＡＴＥＣＯＥＦＦＩＣＩＥＮＴＳＦＯＲＮＥＯＮＬＩＫＥＩＯＮＳＤＩＥＬＥＣＴＲＯＮＩＣＲＥＣＯＭＢＩＮＡＴＩＯＮＲＡＴＥＣＯＥＦＦＩＣＩＥＮＴＳＦＯＲＮＥＯＮＬＩＫＥＩＯＮＳ￥ＺｈａｏＬｉｂｏ；ＬｉＳ...     

镁原子自电离3pns态的能级位置和宽度

采用多通道量子数亏损理论与K矩阵相结合的方法,研究了镁原子3pns自电离态的光谱结构和特征.首次获得了包含精细结构的3p(?)ns自电离能级的位置和宽度.有关Mg3sns→3p(?)ns跃迁的光谱线形的计算结果与近期发表的实验结果相一致.