镁原子里德堡能级的计算

依据最弱受约束电子势模型理论,计算了镁原子1s22s22p63snp 3P2,1,0(n=3～50) 和1s22s22p63sns 3S1 (n=4～50)里德堡系列的能级和量子亏损. 计算结果与已有的33个实验数据符合得很好,预言了136个能级的位置.     

高离化态类氖离子的电子碰撞激发特性研究

利用基于多组态Dirac-Fock(MCDF)理论方法的原子结构和性质计算程序GRASP92和全相对论扭曲波电子碰撞激发计算程序REIE06,系统计算了类氖离子(Z=50—57)激发组态2s22p53l和2s2p63l(l=s,p,d)的能级结构和碰撞激发截面,总结了碰撞激发截面随入射电子能量的变化规律,讨论了实验中感兴趣的(2p1/23d3/2)1→2s22p61S0(标记为3C线)与(2p3/23d5/2)1→2s22p61S0(标记为3D线)跃迁线强度比值的沿等电子系列特性和强组态相互作用对高离化态类氖离子截面的影响.     

类铍离子激发态1s22P2 3Pe的能量、精细结构和跃迁波长的计算

采用多组态相互作用方法及Rayleigh-Ritz变分法,计算了类铍离子等电子系列(Z=4-10)激发态1s22p2 3Pe的非相对论能量,利用截断变分方法得到能量改进量,进一步考虑相对论效应和质量极化效应,从而获得了高精度的能量计算值.给出了类铍离子等电子系列激发态1s22p2 3Pe的相对论能量修正和质量极化效应随核电荷数Z变化的情况.同时还计算了激发态1s22p23Pe的精细结构能级和劈裂,以及1s22s2p3Po到1s22p2 3Pe态的辐射跃迁波长.计算结果与其他理论和实验符合得很好.     

PdⅩⅣ-CdⅩⅥ离子4s24p3和4s4p4组态精细结构能级与跃迁的扩展分析

用多组态HXR理论方法对KrⅣ-CdⅩⅥ离子4s^24p^3和4s4p^4组态的精细结构能级进行了分析计算。在已有研究工作的基础上,通过对4s^24p^3和4s4p^4组态能级的实验观测值与HXR计算结果之差AE沿等电子序列变化规律的分析．找出了△E随有效核电荷数Zc变化的规律,预言并计算了PdⅩⅣ-CdⅩⅥ离子4s^24p^3和4s4p^4组态能级,大部分预言计算值与实验结果的偏差小于100cm^-2。由此还进一步计算了PdⅩⅣ-CdⅩⅥ离子4s^24p^3—4s4p^4跃迁的谱线波长、振子强度和跃迁概率。结果表明：除了4s^24p^3D5/2-4s4p^4^2D5/2跃迁的谱线波长(29．992nm)与实验值相差0．018nm外．对于其余5条谱线．预言值与实验值的偏差均不超过0．005nm。     

高电荷态离子N6+、O5+、Ne4+与He原子碰撞激发过程的实验研究

利用电子迥旋共振(ECR)多电荷离子源产生的高电荷态离子束和LHT—30VUV真空紫外单色仪,研究了N~6+、O~5+、Ne~4+与He碰撞激发过程,观察到单电子俘获、双电子俘获和入射离子直接激发三种激发过程。 We have investigated the excitation processes in collisions between N~(6+), O~(5+), Ne~(4+) andHe by using the ECR ionic source and the LHT-30 VUV Monochromator. The emission spectra showthat there are three channels of excitation in the N~(6+)+He collision system: (1) Single electroncapture into excited states; (2) Double electron capture into excited states; (3) Direct excitation ofincident ions.     

V+20离子的能量和偶极振子强度

用全实加关联方法计算了类锂V+20离子 1s2nl(l=s,p, d;n≤9) 态的电离势和精细结构.依据单通道量子亏损理论, 确定了这三个Rydberg系列的量子数亏损.用这些作为能量的缓变函数的量子亏损,可以实现对任意高激发态(n≥10)的能量的可靠预言.用在计算能量过程中确定的波函数,计算了V+20离子1s22s-1s2np及1s22p-1s2nd (n≤9)跃迁的振子强度.将这些分立态振子强度与单通道量子亏损理论相结合,得到在电离域附近束缚态间的偶极跃迁振子强度以及束缚态-连续态跃迁的振子强度密度,从而将V+20离子的这一重要光谱特性的理论预言外推到整个能域.     

类硼离子N2+光电离的R-矩阵理论计算

本文首次运用R-矩阵理论方法,分别在单通道近似和三态密耦近似下计算了离子N2+基态(1s22s22p) 2P的不同过程、不同分波的光电离截面及各分波的光电离截面随有效量子数的变化规律.在三态密耦近似下,由于大量的自电离态与连续态的相互作用,计算结果显示了光电离过程中非常丰富的Rydberg系列共振结构,是以前的理论计算中所从未涉及到的.     

碳原子1s~22s~22pns~3P态精细结构的理论计算

提出了构造碳原子1s~22s~22pns ~3P态波函数的新方法,以多电子原子精细结构哈密顿的球张量形式和不可约张量理论为基础,开发了一套计算碳原子1s~22s~22pns ~3P态精细结构的Mathemtica程序,具体计算了碳原子1s~22s~22pns ~3P(n=3～6)态的精细结构(包括自旋-轨道相互作用、自旋-其它轨道相互作用和自旋-自旋相互作用),计算结果与实验值非常接近.     

碳原子1s~22s~22pns~3P态的能量和波函数

提出了构造碳原子1s~22s~22pns~3P态波函数的新方法,以Rayleigh-Ritz变分法为基础开发了一套计算碳原子1s~22s2~2pns~3P态波函数和能量的Mathemtica程序,具体计算了碳原子1s~22s~22pns~3P(n=3～6)态的波函数和非相对论能量及其相对论修正值(包括质量修正、单体达尔文修正、双体达尔文修正、自旋-自旋接触相互作用修正),计算结果与实验值非常接近.     

类氢He+、Li2+离子的电子碰撞强度的R矩阵计算

利用R矩阵方法计算了电子与He+离子碰撞的1s-2s和1s-2p跃迁的碰撞强度,结果表明包括10个靶态的计算可以得到精确的类氢离子的n=1→n=2各能级跃迁的碰撞强度,并首次利用R矩阵方法计算了电子与Li2+离子碰撞的1s-2s和1s-2p跃迁的碰撞强度.     

Dynamical correlation in double excitations of helium studied by high-resolution and angular-resolved fast-electron energy-loss spectroscopy in absolute measurements

The momentum transfer dependence of fundamental double excitation processes of helium is studied by absolute measurements using an angular resolved fast-electron energy loss spectrometer with high energy resolution. It elucidates the dynamical correlations, in terms of internal correlation quantum numbers, K, T, and A. The Fano profile parameters q, f(a), rho2, f, and S of doubly excited states (2)(1,0)+2 (1)S(e), (2)(1,0)+2 (1)D(e), and (2)(0,1)+2 (1)P(o) are reported as functions of momentum transfer K2. Qualitative analysis is given for the states of (2)(-1,0)+2 (1)S(e) and (2)(1,0)+2 (1)S(e).     

高离化类锂原子体系(Z=21～30)1s23p态的能级结构和振子强度

用全实加关联方法计算了类锂原子体系(Z=21～30)偶极跃迁1s22s -1s23p的跃迁能、振子强度以及1s23p态的精细结构劈裂.非相对论能量用Rayleigh -Ritz变分法确定;相对论修正和质量极化效应用微扰论计算;同时考虑了来自量子电动力学(QED)效应的修正.得到的理论结果与实验数据及物理规律符合的很好.     

Sc+18离子1s23d-1s2nf的跃迁能和偶极振子强度

用全实加关联方法计算了类锂Sc 18离子1s23d-1s2nf(4≤n≤9)的跃迁能和1s2nf(n≤9)态的精细结构。依据量子亏损理论确定了该Rydberg系列的量子数亏损,用这些作为能量的缓变函数的量子亏损,可以实现对任意高激发态(n≥10)的能量可靠的预言。利用在计算能量过程中确定的波函数,计算了Sc 18离子1s23d-1s2nf的偶极跃迁在三种规范下振子强度;将这些分立态振子强度与量子亏损理论相结合,得到在电离阈附近束缚态-束缚态跃迁振子强度以及束缚态-连续态跃迁振子强度密度,从而将Sc 18离子的这一重要光谱特性的理论预言外推到整个能域。     

氦原子(e,3-1e)反应中未探测电子屏蔽效应的理论研究

在DS3C模型的基础上,对氦原子(e,3-1e)反应的末态He+2场中未探测电子的屏蔽效应进行了研究.计算了(e,3-1e)过程中入射能为640 eV时,电子入射双电离He原子的四重微分截面(4DCS);讨论了非一级效应对截面结构的影响.所得结果与其他理论计算进行比较发现:文中结果与最新测量的实验数据较好地吻合.     

Isotope shift calculations for D lines of stable and short-lived lithium nuclei

The isotope shifts(TSs) for the 2s~2S_(1/2) to 2p~2P_J(J = 1/2,3/2) transitions of the lithium nuclei including the stable and short-lived isotopes are calculated based on the multi-configuration Dirac-Hartree-Fock method and the relativistic configuration interaction approach.The results are in good agreement with the previous theoretical and experimental results within a deviation less than 0.05%.The methods used here could be applied to the IS calculations for other heavier Li-like ions and few-electron systems.     

Three-electron interatomic Coulombic decay from the inner-valence double-vacancy states in NeAr

We have unambiguously identified interatomic Coulombic decay in NeAr from the inner-valence double-vacancy state Ne-Ar(2+)(3s(-2)) to outer-valence triple-vacancy states Ne(+)(2p(-1))-Ar(2+)(3p(-2)) by momentum-resolved electron-ion multicoincidence. This is the first observation of interatomic Coulombic decay where three electrons (3e) participate. The results suggest that this 3e interatomic Coulombic decay is significantly faster than other competing processes like fluorescence decay and charge transfer via curve crossing.     

Double electron capture cross-sections by protons in collisions with He

Double electron capture (DEC) by protons from He was studied in collisions at energies in the keV regime, theoretically and experimentally. Theoretical cross-sections were calculated using the electron nuclear dynamic approach and a binomial distribution method in the energy range 1–100 keV. Experimental cross-sections were measured by means of the grow-rate method in the energy range of 4–10 keV. The cross-sections measured are consistent with those of the previous data at the high energies of the measured interval and show a different trend for the low energy. This behavior is consistent with those of other DEC cross-sections measured by protons from He-like targets. With the two collision models, it is proven that the reference data for this system are consistent only with the assumption of uncorrelated electrons and with independent target-projectile nuclei dynamics.     

KⅡ离子3p光吸收谱的MQDT分析

利用多通道量子数亏损理论对钾的一价离子的3p光吸收光谱进行了分析,计算并预言了80多个实验上未观察到的能级以及相应能级的朗德g因子,对于实验上未区分的能级做了重新的认定,预言了自电离区的3p5ns(1/2,1/2)n=17-21的能级,讨论了通道之间的干扰情况。     

类锂体系(Z=11～20) 1s~24s -1s~2np(5≤n≤9)跃迁能和振子强度的理论计算

利用全实加关联的方法计算类锂体系(Z=11～20) 1s~24s -1s~2np(5≤n≤9)的跃迁能, 将相对论效应(电子动能的相对论修正,Darwin项,电子-电子接触项以及轨道-轨道相互作用)和质量极化效应作为微扰,计算了它们对体系能量的修正.利用得到的波函数和跃迁能计算了核电荷Z=11~20的类锂离子的1s~24s -1s~2np(5≤n≤9)偶极跃迁的长度、速度和加速度三种规范下的振子强度,与现有的实验数据比较,结果符合得很好.     

Charge-state populations for the neon-XFEL system

The interaction between neon and x-ray free-electron lasers with different laser parameters is systematically studied by solving a set of coupled rate equations. As an example, the evolution of 1s~12 s~22 p~6 configuration is given under different incident photon numbers, pulse widths, and photon energies. We have also determined all of the charge-state populations as a function of three laser pulse parameters by averaging over time. The result shows that the variations of these charge-state populations demonstrate a pattern when the pulse width is shorter than 10 fs: some of the charge-states decrease rapidly,while the others rise but remain relatively constant for pulse width larger than 10 fs. The variation of the average charge with three parameters has also obtained. The average charge decreases for a pulse width shorter than 10 fs but remains basically unchanged for a pulse width longer than 10 fs.