类氧钆离子辐射寿命的计算

本文使用多组态Dirac-Fock方法计算了类氧钆离子2s²2p⁴,2s2p⁵,2s²2p³s,2s²2p³3p组态的精细结构能级和激发态的辐射寿命,以及电偶极、磁偶极、电四极跃迁的波长、自发辐射几率、受激辐射几率和振子强度.计算结果可为可能的真空紫外激光器的研制提供必要的理论依据.     

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4s²4p³和4s4p⁴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4s²4p³和4s4p⁴组态能级的实验观测值与HXR计算结果之差ΔE沿等电子序列变化规律的分析，找出了ΔE随有效核电荷数Zc变化的规律，预言并计算了PdXIV-CdXVI离子4s²4p³和4s4p⁴组态能级，大部分预言计算值与实验结果的偏差小于100 cm^-1。由此还进一步计算了PdXIV-CdXVI子4s²4p³－4s4p⁴跃迁的谱线波长、振子强度和跃迁概率。结果表明：除了4s²4p³ 2D5/2－4s4p⁴ 2D5/2跃迁的谱线波长（29.992 nm）与实验值相差0.018 nm外，对于其余5条谱线，预言值与实验值的偏差均不超过0.005 nm。     

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3s²3p⁶3d¹⁰¹S₀以及低激发组态3s²3p⁶3d⁹4l,3s²3p⁵3d¹⁰4l和3s3p⁶3d¹⁰4l(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.     

氮原子同位素计算

本文利用多组态Dirac-Hartree-Fock和相对论组态相互作用的方法计算了氮原子的同位素¹⁴N和¹⁵N的四对能级跃迁：3s⁴P→3p⁴P°,3s⁴P→3p⁴D°,3s²D→5p²D°,和3s²P→3p²P°相应的特殊质量位移系数和场因子. 由计算所得的正常质量位移,特殊质量位移系数和场因子获得了氮原子同位素的正常质量位移、特殊质量位移和场位移. 同时将计算结果和报道的实验和理论计算结果进行了比较.     

类铍离子低激发态等电子系列的能量、精细结构和超精细结构

采用多组态相互作用方法及Rayleigh-Ritz 变分方法，并考虑相对论修正和质量极化效应，获得了类铍离子等电子系列（Z=4-10）低激发态1s²2p2p ¹D^e和1s²2p3p ³P^e的相对论能量。同时还计算了精细结构和超精细结构。计算结果与其他理论和实验符合的很好。     

低能电子与类锂碳离子碰撞的共振激发

 考虑了内壳层电子激发的组态相互作用后,采用R矩阵方法计算了电子碰撞类锂碳离子的共振激发碰撞强度。对于1s²2s²s-1s²2p²p跃迁,结果介于密耦方法和Coulomb-Born交换近似结果之间,而且除了紧靠近激发阈值的 能量区域外与实验结果符合。     

高离化态硫离子光谱的理论分析

 在考虑组态相互作用的基础上,利用包含相对论修正的Hartree-Fock(HFR)理论对S⁸⁺-S¹³⁺离子的谱线波长及加权振子强度等有关原子参数进行了系统计算,并与最新的实验观测和其它理论计算结果进行了比较。计算结果表明：S⁸⁺-S¹¹⁺的各个原子态在LS耦合下纯度很高,随着离化度的增大,S¹²⁺和S¹³⁺离子的部分原子态能级出现混合,组态相互作用逐渐增强。通过对实验结果的分析,识别出32条实验谱线,其中大多数谱线来自S⁸⁺-S¹³⁺离子的2s²2p^k-2s2p^k+1和2s2p^k+1-2s2p^k+2(k=0,1,2,3,4)之间的跃迁,理论计算结果与实验谱线波长之间的绝对误差大多数都在实验的有效分辨力以内。     

2s1/2—1d3/2壳层原子核能谱的壳模型分析

本文对2s_1/2-1d_3/2壳层原子核(A=30—40)能谱作了系统分析,计算仅限于由2s_1/2和1d_3/2支壳层产生的情态,但考虑了它们之间的全部组态混合效应。计算是采用多粒子壳模型的Talmi方法,将二体矩阵元当作参数,其值由实验确定。文中详细分析了Si³⁰,Si³¹,P³⁰,P³¹,P³²,S³²,Ar³⁷,Ar³⁸,K³⁸等原子核能谱,理论与实验符合颇好。     

类铷W37+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,研究了类铷W³⁷⁺离子从基组态3s²3p⁶3d¹⁰4s²4p⁶4d经过双激发态(3s²3p⁶3d¹⁰4s²4p⁶4d)^-1nln′l′(n,n′=4,5)的双电子复合过程,得到了该离子在温度为1~5×10⁴ eV范围内的总双电子复合速率系数。分析比较了不同电子激发的双电子复合速率系数,结果表明:4p电子激发的双电子复合速率系数在低温时给出了主要贡献,而3d的贡献在高温时突出。由于强组态相互作用,两电子一光子跃迁对双电子复合速率系数的贡献不可忽略,其中辐射跃迁4p⁵4d5d5f-4p⁶4f5d的贡献是双激发态4p⁵4d5d5f总的双电子复合速率系数的5%。对双电子复合、辐射复合以及三体复合速率系数的比较表明,在所研究的温度范围内双电子复合速率系数最大。     

CⅢ离子的振子强度和碰撞强度

 把单电子的径向波函数用Slater型轨道展开后,用CIV3程序对组态相互作用波函数进行了优化,同时计算了CⅢ离子1s²nln''l''(n, n''= 2)和1s2²s³l 各态间跃迁的振子强度。利用优化后的波函数,采用R矩阵的方法计算了CⅢ离子1s²nln''l''(n, n''= 2)和1s2²s³l 各态间跃迁的碰撞强度,结果与其它理论和实验结果符合得很好。     

RuXIV离子能级和振子强度的理论计算

利用组态相互作用理论和参数外推方法,计算RuXIV离子4s²4p,4s4p² 4s²4d和4p³组态的能级,以及4s²4p—4s4p²,4s²4p—4s²4d和4s4p²—4p³跃迁的谱线波长和振子强度。4s²4p和4s4p²组态的能级与已有实验 关键词：     

Radiative lifetime and oscillator strength determinations in potassium ions (K V, K VI and K VII)

Oscillator strengths have been calculated for the transitions depopulating levels of the 3s²3p³, 3s3p⁴ configurations of K V, of the 3s²3p², 3s3p³ configurations of K VI and of the 3s²3p, 3s3p², 3p³ and 3s3p3d configurations of K VII. A multiconfiguration Dirac-Fock method, incorporating the relativistic two-body Breit interaction and quantum electrodynamics corrections due to self-energy and vacuum polarization, has been used for the calculations. The reliability of this approach has been tested by comparison with relativistic Hartree-Fock calculations and also with some experimental measurements performed by beam-foil spectroscopy at a beam energy of 1.7 MeV.     

Breit-Pauli energy levels and radiative lifetimes in neutral chlorine

Breit-Pauli Energy levels, oscillator strengths and transition probabilities for all the transitions in Cl I between the fine structure levels of 3s² 3p⁵, 3s² 3p⁴3d, 3s² 3p⁴4s and 3s²3p⁴4p states are calculated using extensive configuration interaction (CI) wave functions. We have also determined the lifetimes of 3s² 3p⁴3d, 3s² 3p⁴4s and 3s² 3p⁴4p levels. The relativistic effects are included through Breit-Pauli approximation via spin-orbit, Darwin and mass correction terms. Prior to the calculations of the oscillator strengths and transition probabilities, we fine-tune the CI coefficient using experimental energies. Our results are compared with experimental and other available theoretical data. The calculated energy levels are in close agreement with most of the NIST compiled data. We predict new lifetime data for several levels where no other theoretical and/or experimental results are available, which will form the basis for the future experimental work. Electronic supplementary material Online Material     

类钠铜离子的激发自电离

在扭曲波库仑玻恩交换近似下计算了类钠铜离子２ｐ^６３ｓ＋ｅ^-→２ｐ⁵３ｓ３ｌ＋ｅ^-（ｌ＝０，１，２）的内壳层激发截面．结合单组态近似和组态相互作用两种情况下计算的自电离分支比，计算了上述组态的激发自电离截面．结果表明，在入射电子能量为１０９０ｅＶ时，组态相互作用使２ｐ⁵３ｓ３ｄ总的激发自电离截面增大至单组态近似的近两倍；而使２ｐ⁵３ｓ²组态的激发自电离截面减小为单组态近似的３６％；２ｐ⁵３ｓ３ｐ组态的激发自电离截面只是略有下降 关键词：     

Electron impact excitation rate coefficients of N II ion

This paper calculates the electron impact excitation rate coefficients from the ground term 2s²2p^{2 3}P to the excited terms of the 2s²2p², 2s2p³, 2s²2p3s, 2s²2p3p, and 2s²2p3d configurations of N II. In the calculations, multiconfiguration Dirac--Fork wave functions have been applied to describe the target-ion states and relativistic distorted-wave calculation has been performed to generate fine-structure collision strengths. The collision strengths are then averaged over a Maxwellian distribution of electron velocities in order to generate the effective collision strengths. The calculated rate coefficients are compared with available experimental and theoretical data, and some good agreements are found for the outer shell electron excitations. But for the inner shell electron excitations there are still some differences between the present calculations and available experiments.     

Relativistic R-matrix close-coupling calculations for photoionization of Ne-like Al IV

We present relativistic close-coupling photoionization calculations of Al IV using the Breit-Pauli R-matrix method to obtain photoionization cross-section of Al IV from the ground state and the lowest two J=0 (even) excited states. A multi-configuration eigenfunctions expansion of the core Al V is employed with spectroscopic configurations 2s²2p⁵, 2s2p⁶, 2s²2p⁴3s, 2s²2p⁴3p, 2s²2p⁴3d and 2s²2p⁴4s. We have included, for the first time, the lowest 68 level target states of Al V in the photoionization calculations of Al IV. Extensive configuration interaction wavefunctions are used to describe both the initial Al IV states and the final Al V states. Cross-sections are compared from three level calculations including only 2s² 2p^{5 2}P^o _3/2, _1/2 and 2s 2p^{6 2}S_1/2 levels of Al V. The present calculation using the lowest 68 target levels of Al V are presented for the first time and should provide reasonably complete database for practical application for photoionization cross-section for Al IV, where high-energy cross-sections along with near-threshold photoionization cross-section is required.     

Fine-structure energy levels, oscillator strengths and lifetimes of chlorine-like chromium

We have done relativistic calculations for the evaluation of energy levels, oscillator strengths, transition probabilities and lifetimes for Cr VIII ion. Use has been made of configuration interaction technique by including Briet-Pauli approximation. The energies of various levels from the ground state to excited levels of 3s3p⁶, 3s²3p⁴3d, 3s²3p⁴4s, 3s²3p⁴4d of Cr VIII are given in LSJ coupling scheme after fine-tuning and are compared with the experimental results compiled in the NIST Data Base. Many new lines have been predicted which have not appeared so far in the NIST Data.     

Energy levels, oscillator strengths and lifetimes in Ar V

We have calculated the excitation energies, oscillator strengths and transition probabilities for electric-dipole-allowed and intercombination transitions among the 46 LS levels belonging to the configurations 3s ²3p ², 3s3p ³, 3s ²3p3d, 3p ⁴, 3s ²3p4s, 3s ²3p4p, 3s3p ²(² S)4s, 3s3p ²(² P)4s, 3s3p ²(⁴ P)4s, 3s3p ²(² D)4s, 3s ²3p4d and 3s ²3p4f of Si-like Argon. These states are represented by extensive Configuration-Interaction (CI) wavefunctions obtained using the CIV3 computer code of Hibbert. From our transition probabilities we have also calculated the radiative lifetimes of singlet and triplet states of Ar V. Our results are compared with other available theoretical calculations and experimental data. To assess the importance of relativistic effects on our calculated values, we have also carried out calculations in the intermediate-coupling scheme using the Breit-Pauli Hamiltonian. Small adjustments to the diagonal elements of the Hamiltonian matrices have been made so that the energy splittings are as close as possible to the experimentally compiled energy values of the National Institute for standards and Technology (NIST). The energy splitting of 85 fine-structure levels, the oscillator strengths and transition probabilities for electric-dipole-allowed and intercombination transitions and the lifetimes of some fine-structure levels are presented and compared with available experimental and other theoretical values. In this calculation, we also predict new data for several fine-structure levels where no other theoretical and experimental results are available.