实验室光致电离等离子体中激发过程的研究

光致电离等离子体在宇宙中广泛存在于强辐射场附近. 近年来随着高能量密度实验装置的发展, 在实验室内也能构造出光致电离等离子体. RCF是一个基于The Flexible Atomic Code 数据的针对光致电离等离子体的辐射碰撞模型, 该模型模拟了两个光致电离实验, 其 理论结果中电离态分布和光谱与测量值符合得很好. 在理论模拟中发现, 光致电离等离子体中光致激发和碰撞激发过程对离子态布居和发射光谱都有非常重要的影响. 光致激发过程可以通过将离子激发到双激发态从而间接电离离子; 碰撞激发过程会因为电子将基态离子激发到电离截面小的单激发态而抑制光子对等离子体的电离. 光致激发过程可以加强类锂离子的类氦离子的卫线, 而碰撞激发过程会影响类氦离子谱线的线强之比.     

高Z等离子体中的双电子复合与电子碰撞激发

 采用准相对论性Hartree-Fock-Relativistic方法与不可分辨跃迁组模型相结合，对Au和Ta元素的类Ni离子的双电子复合速率，以及Au元素类Cu离子的电子碰撞激发速率进行了计算。计算结果表明，对于Au类Ni离子的3d¹⁰-3d⁹4l5f-3d¹⁰4l双电子复合过程以及类Cu离子的3d¹⁰4l-3d⁹4l5f电子碰撞激发过程，当电子温度高于1.0 keV时，电子离子碰撞激发速率随电子温度增加而增加，双电子复合速率随电子温度增加而减小，并且电子碰撞激发对谱线辐射的贡献要比双电子复合大得多。     

介观尺寸原子链中的等离激元：紧束缚模型

本文运用紧束缚模型对介观尺寸原子链的等离激发进行了系统的研究, 通过量子响 应理论和相无规近似得到了等离激元的本征频率方程, 通过该方程计算了系统中等离子体的激发能量, 并分别对体系的本征振荡以及外电场作用在原子链上发生共振的情况进行了研究. 结果表明, 体系在外场作用下发生共振时, 偶极矩的峰值与等离子体的激发态相对应, 说明外场此时激发了等离激元; 体系处在共振情况下, 电荷振荡的幅度远远大于非共振的情况, 相对来说体系的电荷虚部的共振更为明显. 对于体系的本征等离振荡频率, 同等长度时等离子体的激发能量总是大于同级的单电子激发能量; 等离激元的能谱与原子链的长度和电子密度以及系统的库仑关联强度都有很大关系; 在原子链长度保持不变的情况下, 等离子体的激发能量随电子数目的变化以半满为中心呈对称关系. 关键词： 纳米结构 一维原子链 等离激元     

Some Basic Physics Results for Plasma Spectroscopy and Modelling

Spectroscopic diagnostics and modelling of technical or divertor plasmas require many results from basic physics research. Reasonable simplifications must be introduced and information is necessary about atomic and molecular processes in the plasma volume and at the walls. As a first approximation, the corona model is presented, which is applicable for excitation and ionisation at low densities. This model requires cross sections and rate coefficients for electron impact. Many of these can be found in the literature, but it is also shown, how they can be estimated from the optical f-values. Consideration of competing processes is often required, as e.g. dissociative excitation, excitation transfer, charge exchange or quenching. Some examples are reported. At higher electron densities, collisional-radiative models must be used, which are available for electron impact collisions. Redistribution by neutral particles can present a major problem in low density discharges and many questions are still open. Heavy particle reaction rates are published in the literature, but must sometimes be taken with caution. The optical thickness of resonance lines is discussed, which may considerably affect line emission also in the visible spectral range. Models and programs are described for taking into account opacity and the results are shown. In addition to reaction cross sections, the electron energy distribution function must be known, which is often non-Maxwellian. It is demonstrated, how deviations can be recognised in spectroscopic criteria with different energy thresholds and how the high-energy tail may be reconstructed for further use in diagnostics or modelling. Eventually, a self-consistent model of these plasmas is highly desirable calculating electrical and magnetic fields, all chemical reaction rates and the consequent distribution functions.     

Scattering of atomic particles at relativistic energies

This article is concerned with excitation, ionization and electron capture collisions between charged particles and atomic systems involving a single active electron, at impact energies which are so great that Lorentz transformations between the frames of reference of the incident and target particles must be carried out as well as relativistic dynamics employed. For excitations and ionization it is sufficiently accurate to use the relativistic generalization of the first Born approximation, but for electron capture it is necessary to carry through the analysis using a relativistic generalization of the second Born approximation. Also relativistic wave functions are employed to describe the active atomic electron.     

X-ray spectra simulation of Li-like nickel L-shell Ions

The X-ray emission spectra of nickel plasma were simulated under the collisional radiative model (CRM) by using the flexible atomic code (FAC). The dynamical processes including collisional excitation (CE), radiative recombination (RR), dielectronic recombination (DR), collisional ionization (CI) and resonance excitation were considered in the model, and the rate coefficients of DR, RR as well as CI were consistent with previous results within 15%. It was found that the contributions to spectra from cascades and indirect processes could not be ignored. The intensities of spectral lines for lithium-like nickel L-shell ions are sensitive to the electron temperature. The good agreement between present spectral peaks and earlier observed results can be taken as a measure of the accuracy of the present work.     

Proton and electron impact on molecular and atomic oxygen: II. Emission cross-sections for ionisation and excitation of atomic oxygen

Ionisation and excitation of atomic oxygen in collisions with protons and electrons were studied experimentally in the intermediate velocity range applying the method of fluorescence spectroscopy. Absolute emission cross-sections for 2s-electron ionisation, excited ion production and excitation of atomic oxygen are presented and for electron impact compared to available data. For proton impact no emission cross-sections have been published so far. Received 9 September 1999 and Received in final form 15 December 1999     

包含过渡区的等离子体电子状态方程的理论研究

在改进的平均原子模型的基础上,在中心场近似下用分波法来处理部分自由电子密度分布函数,提高了电子波函数、电子占据数等原子参数的计算精度.通过平均近似处理,给出了劈裂的能带,从而改善了物质电子状态方程的计算精度.作为算例,计算了Mo,Au等元素的原子能量、电子压强、熵及定容热容. 关键词： 自洽场原子结构 原子能量     

Emission spectra simulation of calcium plasmas in non-local thermodynamic equilibrium

We use previous high-quality experimental spectra to test the accuracy of atomic data and the validity of the collisional－radiative (CR) model used in this paper. The synthetic spectrum with electron temperature log T_e(K)=6.745 and electron density n_e=6.0×10^{13}cm^{-3}, which almost reproduces the experimental spectra, is presented. Nearly all the features of the experimental spectra were identified. The results of the CR modelling for the emission spectra of calcium plasmas all agree well with the measured spectral line intensities within the experimental error for most of the lines. Furthermore, we make the electron temperature diagnostic through the synthetic spectrum and population fractions of every ionization state as a function of charge state at different electron temperatures, as well as the electron density diagnostic through the intensity ratios of two lines of Be-like calcium and three lines of C-like calcium. A good agreement between the calculated values and the measured ones is found.     

Spectrum Simulation of Li-Like Aluminium Plasma

X-ray emission spectra for L-shell of Li-like aluminium ions are simulated by using the flexible atomic code based on the collisional radiative model. Atomic processes including radiative recombination, dielectronic recombination, collisional ionization and resonance excitation from the neighbouring ion （Al^9＋ and Al^11＋ ） charge states of the target ion （Al^10＋） are considered in the model. In addition, the contributions of different atomic processes to the x-ray spectrum are analysed. The results show that dielectronic recombination, radiative recombination, collisional ionization and resonance excitation, other than direct collisional excitation, are very important processes.     

基于原子轨道基的实时密度泛函理论:方法及应用

实时密度泛函理论是基于含时Kohn-Sham方程,从实空间实时模拟材料激发态性质的第一性原理计算方法.本文介绍如何利用基于数值原子轨道基的含时密度泛函理论和软件TDAP(Time Dependent Ab initio Package),研究凝聚态物质与光场之间的相互作用.通过引入电磁场的长度规范和速度规范,该方法的适用范围从低维结构拓展到固体材料,且不受微扰论的限制,实现了对大规模、真实凝聚态体系的动力学性质的精确模拟.文中以几个有代表性的工作为例,说明该方法对于研究量子系统中新奇的超快量子动力学现象有着广泛的应用前景.     

Collision strengths for transitions in Ni XIX

In this paper we present calculations of electron impact excitation collision strengths for transitions among the 89 fine-structure levels of the 2s²2p⁶, 2s²2p⁵3ℓ, 2s2p⁶3ℓ, 2s²2p⁵4ℓ, and 2s2p⁶4ℓ configurations of Ni XIX, for which flexible atomic code (FAC) has been adopted. Comparisons are made with the earlier available results in the literature, and the anomalies observed have been discussed.      

Vibrational inelastic electron-H<Subscript>2</Subscript> scattering revisited: numerically converged coupled channels space frame calculations with model interactions

The collisional excitation of the lower vibrational levels of H₂(¹Σ_g⁺) molecules by low-energy electron impact is computed using an empirical model potential and by solving the coupled-channels scattering equations within a space-fixed (SF) frame of reference formulation. Numerically converged partial, integral inelastic and elastic cross-sections are obtained from what is an essentially exact treatment of the dynamics and the results are compared with measurements and with earlier calculations on the same system. The usefulness of the SF method for handling excitation processes at near-threshold collision energies is discussed and analyzed through the calculations of collisional superelastic partial cross-sections down to 10^-2 meV of collision energy.     

Proton impact excitation of the low lying autoionizing levels in the heavier alkali atoms

The total cross-section for proton impact excitation of some low lying autoionizing levels in alkali metal atoms have been calculated using Born approximation. Hartree-Fock atomic orbitals appropriate for the initial and final orbitals have been used. The results are compared with the other available theoretical calculations.     

Excitation of helium atoms in collisions with plasma electrons in an electric field

The rate constants are evaluated for excitation of helium atoms in metastable states by electron impact if ionized helium is located in an external electric field and is supported by it, such that a typical electron energy is small compared to the atomic excitation energy. Under these conditions, atomic excitation is determined both by the electron traveling in the space of electron energies toward the excitation threshold and by the subsequent atomic excitation, which is a self-consistent process because it leads to a sharp decrease in the energy distribution function of electrons, which in turn determines the excitation rate. The excitation rate constant is calculated for the regimes of low and high electron densities, and in the last case, it is small compared to the equilibrium rate constant where the Maxwell distribution function is realized including its tail. Quenching of metastable atomic states by electron impact results in excitation of higher excited states, rather than transition to the ground electron state for the electric field strengths under consideration. Therefore, at restricted electron number densities, the rate of emission of resonant photons of the wavelength 58 nm, which results from the transition from the 2¹ P state of the helium atom to the ground state, is close to the excitation rate of metastable atomic states. The efficiency of atomic excitation in ionized helium, i.e., the part of energy of an electric field injected in ionized helium that is spent on atomic excitation, is evaluated. The results exhibit the importance of electron kinetics for an ionized gas located in an electric field.     

基于双激发态对稠密等离子体中双电子复合速率系数的研究

讨论了稠密等离子体中双电子复合速率系数的计算方法,推导出了在双激发态间跃迁过程和关于双激发态的碰撞电离和自电离过程的影响下双电子复合速率系数作为关于电子密度函数的计算公式,并以类氖镍离子为例进行了计算.计算结果展示了双电子复合速率系数随电子密度增大的具体变化趋势.此外,还给出了在不同原子过程影响下双电子复合速率系数的数据,并进行了分析.     

激发态过程的多体理论方法

描述多电子体系的绝大部分参量可实验测量,如吸收光谱、发光光谱和激子效应等,都涉及电子激发态的正确描述。密度泛函理论(DFT)框架内的局域密度近似(LDA)作为第一性原理基态理论,即基于Kohn-Sham方程的解,是研究多粒子体系基态性质非常有力的工具。然而,体系激发态的第一性原理理论及其计算要比基态的理论计算复杂得多。关键问题在于描写基态和激发态时,粒子间的交换关联相互作用并不相同,而对于非均匀相互作用多粒子体系的交换关联能至今仍不清楚。不过,近年来关于激发态问题的研究,先后发展了许多描述电子激发态的理论,最重要的是基于准粒子概念和Green函数方程的多体微扰理论和含时间密度泛函理论(TDDFT)以及与此相关的描述电子-空穴相互作用的Bethe-Salpeter方程在凝聚态物理问题中的应用。其中最关键的物理量是粒子的自能算符Σ,它描述Hartree近似之外的交换和关联效应。虽然这些理论不可避免地也要引入某些近似,如对于Σ的一个好的近似就是Hedin的GW近似方法。对许多实际凝聚态体系的计算机模拟结果表明,GW近似是描述激发态问题相当成功的理论方法。将Hartree-Fock(HF)理论与LDA相结合,但采用非局域屏蔽交换代替HF方法中的局域非屏蔽交换相互作用,建立广义的KS方程(GKS),得到所谓屏蔽交换局域密度近似(sX-LDA)方法。我们在平面波自洽场方法PWscf程序包的基础上,发展了PW scf-sX-LDA方法,也是处理激发态问题及材料设计的有效方法。将评述激发态过程多体理论各种方法的发展和意义,讨论这些多体理论方法之间的联系和差异,并在此基础上介绍它们在解决半导体带带跃迁(或带隙偏小问题)、半导体及其微结构中的激子效应等重要领域的应用和成果。     

用于研究铝等离子体软X射线光谱的碰撞-辐射模型

我们建立了一个以AlXI和AlXII离子为主的碰撞一辐射模型,模型中考虑了碰撞电离和复合,碰撞激发和退激发,辐射复合和自发辐射跃迁等原子过程.本文还分析了该模型的计算结果,包括离子丰度分布,辐射损失,及诊断的特性.     

等离子体电子压强的Hartree-Fock-Slater自洽场计算

在对传统平均原子模型(AAM1)作动态自由电子判据改进的基础上，在中心场近似下使用了带边界条件的正能态波函数，提高电子压强的计算精度，使得电子压强满足常态物理条件.作为算例，计算了Fe，Ni，Pb，Am的电子压强. 关键词： 自治场原子结构 电子压强     

Al等离子体辐射损失的数值研究

建立了一个用于研究Al等离子体中的离子丰度和辐射损失的碰撞辐射模型,模型考虑了碰撞电离和复合,碰撞激发和退激发,辐射复合和自发辐射跃迁等原子过程,在恒离子密度和光性薄近似下,讨论了该模型给出的离子丰度和辐射损失的动态结果。 关键词：