Transition parameters of Li-like ions(Z = 7–11) in dense plasmas

The energy levels, transition energies, transition probabilities, weighted oscillator strengths, and line strengths of Lilike ions(Z = 7–11) in dense plasmas are investigated in this work. The relativistic effects and electron correlation effects are described by the MCDHF method. The ion sphere model is applied to include the dense plasma screening effect. The ground configuration 1 s~22 s and the excited 1 s~22 p, 1 s~23 l(l = 0–2) are considered. The configuration sets are enlarged until n = 7 where the calculated energy levels have converged. The critical free electron densities of 1 s~23 d states are estimated.Except for 1 s~23 s–1 s~23 p transitions, the transition energies for Δn = 0 increase, and for Δn ≠ 0 decrease with increasing free electron densities. For 1 s~23 s–1 s~23 p transitions, the spectra show blue-shift at lower free electron densities and red-shift at higher free electron densities, and the energy level crossing phenomens are observed at higher free electron densities.     

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．     

类铝离子Cr+11、Mn+12和Fe+13能级3s23p-3s23d跃迁参数计算

用多组态Dirac-Fock(MCDF)方法,对类铝离子Cr⁺¹¹、Mn⁺¹²和Fe⁺¹³能级3s²3p-3s²3d跃迁进行了理论计算。研究了组态相互作用对类铝离子跃迁的影响,得到了相应的跃迁能量、跃迁波长和振子强度。与已有的实验数据进行了比较,相应的计算结果符合较好。     

类铍离子1s~22snp~3P(n=2～6,Z=5～8)态能级和精细结构参数的理论计算

在准相对论框架下,以多电子原子精细结构哈密顿的球张量形式为基础,借助不可约张量和角动量耦合理论,导出类铍离子1s22snp(n=2-6)3P态精细结构(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)和精细结构参数的解析表达式,并利用我们所开发的程序,对各项进行了具体地计算,计算结果与文献符合地较好.     

类Ne等电子系列离子(Z=11,…,18)2p~53s—2p~6辐射跃迁的多组态相对论理论计算

利用多组态DiracFock(MCDF)理论方法,系统研究了延迟、相关和相对论效应对类Ne等电子系列离子(Z=11,…,18)的较低的激发组态2p53s和基组态2p6的能级结构及其能级之间辐射跃迁特性的影响.给出了2p53s1,3P01—2p61S0电偶极(E1)共振和复合跃迁、2p53s3P02—2p61S0磁四极(M2)跃迁和2p53s3P00—2p53s3P01磁偶极(M1)跃迁的跃迁能以及激发态1P01,3P00,3P01,3P02的辐射寿命,所得结果与最新实验观测和其他理论计算进行了比较 关键词： MCDF方法 延迟和相关效应 跃迁概率     

44≤Z≤48类钴离子3p63d9,3p53d10,3p63d84p组态原子参数的计算

用多组态自洽场方法,结合我们提出的半经验拟合公式,系统计算了高离化态44≤Z≤48类钴等电子序列离子3p63d9,3p53d10,3p63d84p,组态的能级跃迁波长和振子强度,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。     

类铍离子磁四极M2 2s2 1S0—2s2p3P2 (Z=10—103)禁戒跃迁

利用全相对论多组态Dirac-Fock方法系统地计算了高离化类铍离子的磁四极M2 2s²¹S₀—2s2p³P₂ (Z=10—103)自旋禁戒跃迁的能级间隔、跃迁概率和振子强度，计算中考虑了重要核的有限体积效应，Breit修正和QED修正，所得结果和最近的实验数据以及理论值进行了比较，结果表明：高原子序数的高电荷离子(Z≥70)磁四极M2自旋禁戒跃迁几乎可以和中性原子的光学允许跃迁相比拟，不仅在天体等离子体中，在ICF和MCF高温激光等离子体中，磁四极自旋禁戒跃迁和其他自旋禁戒跃迁（磁偶极、电四极）一样不容忽视，在双电子复合、不透明度、自由程等理论计算中应该考虑其影响. 关键词： 磁四极M2 能级间隔 跃迁概率 振子强度     

类锂离子(Z=11～20)1s23p-1s2nd(n=6,7)的跃迁能和振子强度

用全实加关联(FCPC)方法计算类锂离予体系(Z=11～20)1s2nd(n=6,7)态的非相对论能量.相对论及质量极化效应对能量的修正用微扰论计算,量子电动力学(QED)修正利用有效核电荷方法估算.在此基础上计算了1s23p-1s2nd(n=6,7)的跃迁能及振子强度,对现有的关于1s2nd(n=6,7)态的精细结构的实验数据的可靠性提出质疑.     

Nb XIII离子3d94s2, 3d94s4p, 3d94p2 组态能级结构与跃迁的理论研究

用准相对论Hartree-Fock方法对Nb XIII离子二电子激发组态3d⁹4s², 3d⁹4s4p, 3d⁹4p² 的能级结构做了全面系统的理论计算研究.在对已有研究结果分析的基础上, 运用最小二乘方法对径向积分参数进行了优化计算, 得到了与这些组态有关的电偶极允许跃迁的谱线波长和跃迁概率.计算结果与最新的实验值做了对比分析, 表明本文计算结果是准确的. 研究发现, 波长40.92 nm的谱线, 属于3d⁹4s(¹D)4p²F_7/2–3d⁹ (²D)4s^{2 2}D_5/2 的跃迁谱线, 而不属于3d⁹4s (¹D)4p⁴D_7/2–3d⁹(²D)4s^{2 2}D_5/2 的跃迁谱线, 即上谱项能级为²F_7/2, 而不是⁴D_7/2. 关键词： Nb XIII离子 二电子激发组态 谱线波长 跃迁概率     

MoⅩⅣ—RuⅩⅥ离子的3d104s—3d94s4p跃迁谱线波长和振子强度的计算

在对GeⅣ—RuⅩⅥ离子3d-94s4p组态能级结构的组态相互作用理论分析计算的基础上，进一步分析了关联效应，量子电动力学（QED）效应及其他效应对等电子序列离子能级结构的影响，找出了沿等电子序列离子能级变化的规律性.在前人研究工作的基础上，预测计算了MoⅩⅣ—RuⅩⅥ离子3d-94s4pJ=12,32组态能级，由此计算了MoⅩⅣ—RuⅩⅥ离子3d-104s—3d-94s4pJ=12,32跃迁谱线波长，振子强度和跃迁概率. 关键词： GeⅣ—RuⅩⅥ离子 谱线波长 振子强度 跃迁概率     

类镁离子3s21S0-3s3p1P1(Z=15～103)光谱跃迁的能级和跃迁几率的相对论多组态计算

利用全相对论性多组态Dirac-Fock平均能级(MCDF-AL)方法系统地计算 了高离化类镁离子3s21S0-3s3p1P1(Z=15～103)跃迁的能级间隔和 跃迁几率，计算中考虑了重要的核有限体积效应，Breit修正和QED修正，所得结果和最近的 实验数据及其它理论计算值进行了比较。     

KX（X=Cl,Br,I）晶体中Eu^2＋离子的4f^65d态能级计算

按着4f~6(~7F_J)和5dΓ_1耦合模型,提出了计算KX(X=Cl,Br,I)晶体中Eu~(2+)离子4f~65d能级的方法,导出了能级的参数表达式,并进行了数值计算,计算结果和实验符合较好.     

A study of the odd isotopes of copper using the 58, 60, 62, 64Ni(τ, d) 59, 61, 63, 65Cu and 48Ca(τ, d)49Sc reactions

Experimental measurements are reported for the ^{58, 60, 62, 64}Ni(τ, d) ^{59, 61, 63, 65}Cu and ⁴⁸Ca(τ, d)⁴⁹Sc reactions and for the elastic scattering of ³He particles from ^{58, 60, 62, 64}Ni and ⁴⁸Ca targets at an incident energy of 18 MeV. The (τ, d) angular distributions cover the angular range from approximately θ_c.m. = 5° to 90° and the elastic scattering angular distributions range from θ_c.m. = 12° to 172°. In the (τ, d) reactions several weakly excited states, not previously seen in stripping reactions, have been identified and assignments of the transferred angular momentum made. The ⁴⁸Ca(τ, d)⁴⁹Sc reaction data are used in conjunction with the theoretical sum rules of MacFarlane and French to determine the normalization factors to be used with DWBA calculations for different sets of optical potentials. These normalization factors are used to extract spectroscopic strengths and centroid energies from the Ni(τ, d)Cu data which are compared with published model calculations for the odd copper isotopes. It is concluded that these calculations invariably fail to give a consistent picture of the odd copper isotopes mainly due to the use of centroid energies as variable parameters in the model calculations.     

Energy and fine structure of 1s2np(n≤9) states for lithium-like systems from Z=11 to 20

A new variation method is extended to study the atomic systems with higher nuclear charges and in more highly excited states. The non-relativistic energies of 1s^2np (n≤9) states for the lithium-like systems from Z=11 to 20 are calculated using a full-core-plus-correlation method with multi-configuration interaction wavefunctions. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation corrections. The fine structures are determined from the expectation values of spin-orbit and spin-other-orbit interaction operators in the Pauli－Breit approximation. The quantum-electrodynamics correction is also included. Our results are compared with experimental data in the literature.     

Complete determination of the transition amplitudes from a comprehensive data analysis of the fusion reactions D(d,p)3H and D(d,n)3He for Ed<500 keV

All relevant low-energy transition amplitudes for the D(d,n)³He and D(d,p)³H reactions were determined from a fit to Legendre expansion coefficients of the available experimental data. A simple barrier penetrability model was used. Quintet S-wave transitions are found to contribute strongly thus obliterating the idea of neutron-lean “polarized” fusion energy production. The D+D interaction radius was determined with good accuracy for both reactions individually. The astrophysical S functions show a small S-wave enhancement and P-wave suppression of the D(d,p)³H branch.     

Pressure induced B3-B1 structural phase transition and elastic properties of monopnictides InX (X = N,P, As)

An effective interionic interaction potential is developed to discuss the pressure induced structural phase transformation and mechanical properties of InX (X = N, P, As) semiconducting compounds. The effective interionic potential consists of the long-range Coulomb and three-body interactions and the Hafemeister and Flygare type short-range overlap repulsion extended upto the second neighbour ions and the van der Waals interaction. The present calculations have revealed reasonably good agreement with the available experimental data on the phase transition pressures (P_t = 11.5, 10, 7.5 GPa) and the elastic properties of InX (X = N, P, As). The equation of state curves (plotted between V (P)/V(0) and pressure) for both the structures zincblende (B3) and rocksalt (B1) structures obtained by us are in fairly good agreement with the experimental results. The calculated values of the volume collapses [ΔV(P)/V(0)] are also closer to their observed data.     

A2( MoO4)3(A=Al,Cr,Fe)结构与相变的Raman光谱研究

用XRD、Raman光谱和DSC研究了Al2 (MoO4)3、Cr2( MoO4)3和Fe2 (MoO4)3的结构与相变.Al2(MoO4)3、Cr2 (MoO4)3和Fe2 (MoO4)3在室温下为单斜相,分别在483 K、673 K和783 K附近转变为正交相.发现MO4四面体的对称和反对称伸缩振动模的频率和相对强...     

A test of the absolute Ni(I) gf-value scale by using mean lives of selected levels for the configurations 3d84s4p and 3d94p

Lifetimes for 11 levels of the configurations 3d⁸4s4p and 3d⁹4p in Ni (I) have been measured by the delayed coincidence method, following selective dye-laser excitation in a wavelength range between 299 and 338 nm. The results are compared with earlier laser excitation and Hanle effect lifetime measurements and with lifetimes derived from the gf-values of Huber and Sandeman. Comparisons with the results of Huber and Sandeman show consistently excellent agreement.