高离化态Au离子光电离过程的理论研究

基于多组态Dirac-Fock方法的程序包GRASP92和RATIP及在此基础上最新发展的RELPHOTO08程序, 系统地研究了高离化态金离子M壳层的光电离截面随入射光子能量、 离化度以及壳层的变化规律。结果表明: 光电离截面随光子能量的增大而单调减小; 电离nl电子时, 如果相关电子的主量子数较大, 则该电子存在与否对其光电离截面几乎没有影响; 在同一离化度下, 角量子数l可引起两种性质不同的效应, 其相互竞争可导致光电离截面随入射光子能量的复杂变化。Based on multiconfiguration Dirac Fock method and the corresponding packages GRASP92 and RATIP, as well as the newly developed RELPHOTO08, the variations of M subshell photoionization cross sections with the photon energy, ionization degree and subshells for highly charged gold ions are studied systemically. The present results show that the cross sections are decreasing monotonously with the photon energy; for the photoionization of nl electrons, if the principal quantum number of removed electron is large enough, the cross sections are essentially unchanged upon the presence or absence of outer electrons; for same ionization degree, the angular quantum number introduces two opposite effects which could exist simultaneously, and the intricate variations of cross sections with the photon energy originate from the competition between these two different effects.     

Interference effects on the photoionization cross sections between two neighbouring atoms: nitrogen as an example

Interference effects on the photoionization cross sections between two neighbouring atoms are considered based on the coherent scattering of the ionized electrons by the two nuclei when their separation is less than or comparable to the de Broglie wave length of the ionized electrons. As an example, the single atomic nitrogen ionization cross section and the total cross sections of two nitrogen atoms with coherently added photoionization amplitudes are calculated from the threshold to about 60~\AA (1~\AA=0.1~nm) of the photon energy. The photoionization cross sections of atomic nitrogen are obtained by using the close-coupling R-matrix method. In the calculation 19 states are included. The ionization energy of the atomic nitrogen and the photoionization cross sections agree well with the experimental results. Based on the R-matrix results of atomic nitrogen, the interference effects between two neighbouring nitrogen atoms are obtained. It is shown that the interference effects are considerable when electrons are ionized just above the threshold, even for the separations between the two atoms are larger than two times of the bond length of N₂ molecules. Therefore, in hot and dense samples, effects caused by the coherent interference between the neighbours are expected to be observable for the total photoionization cross sections.     

Importance of Relativistic Effects for Intermediate-Z Elements： Photoionization Process of Excited Na

Using a modified R-matrix code, the fine-structure-resolved partial photoionization cross sections of excited Na （Z = 11） are calculated within the Breit-Pauli approximation. Our calculated energy levels of Na＋ and Na are in good agreement with the experimental values within 1% and the branching ratios of the J-resolved partial cross sections are consistent with the recent measurements within the experimental uncertainties. The agreements are impossible to be obtained without adequately taking into account the relativistic effects and the electron correlations together. Therefore, even for the intermediate-Z elements （e.g. Na with Z = 11）, the relativistic effects （mainly the spin-orbit interactions） should not be neglected.     

Density Dependence of the Detailed Spectral Line Effects on the Opacity of Astrophysical Abundant Elements： oxygen

A full relativistic detailed-level-accounting approach has been developed independently to deal with the detailed spectral line effects on the opacity of the third most abundant element in stars: oxygen. The atomic energy levels and the oscillator strengths of the radiative transitions between the energy levels are obtained by carrying out the full relativistic one-configuration Dirac-Fock calculations. The photoionization cross sections are obtained via an average atom scheme with a consideration for the splitting of the ionization threshold due to the ionization stages and the term-couplings. As an example, the spectra resolved opacities and the mean opacities of oxygen are calculated to show the importance of the detailed spectral line profiles with the density of the matter.     

相对论小分量波函数对原子光电离截面的影响

利用相对论平均自洽场理论,研究了相对论波函数的小分量对原子光电离截面的影响。原子核尺寸效应将使波函数小分量对原子光电离截面的影响减弱。由于波函数沿径向空间被压缩,电子离核的平均半径较小,波函数小分量对高离化态离子光电离截面的影响比对一般原子要强得多。波函数小分量反映了相对论效应的基本特征,从而也定性地说明了光电离过程中相对论效应的强弱。     

Differential cross sections of positron-hydrogen collisions

We make a detailed study on the angular differential cross sections of positron–hydrogen collisions by using the momentum-space coupled-channels optical(CCO) method for incident energies below the H ionization threshold. The target continuum and the positronium(Ps) formation channels are included in the coupled-channels calculations via a complex equivalent-local optical potential. The critical points, which show minima in the differential cross sections, as a function of the scattering angle and the incident energy are investigated. The resonances in the angular differential cross sections are reported for the first time in this energy range. The effects of the target continuum and the Ps formation channels on the different cross sections are discussed.     

Modeling the applicability of linear energy transfer on single event upset occurrence

Geant4 tools were used to model the single event upset (SEU) of static random access memory cells induced by heavy ion irradiation. Simulated results obtained in two different regions of incident ion energies have been compared in order to observe the SEU occurrence by energetic ions and their effects on the radial ionization profile of deposited energy density. The disagreement of SEU cross sections of device response and radial distribution of deposited energy density have been observed in both low energy and high energy regions with equal linear energy transfer (LET) which correspond to the both sides of the Bragg peak. In the low energy region, SEUs induced by heavy ions are more dependent upon the incident ion species and radial distribution of deposited energy density, as compared with the high energy region. In addition, the velocity effect of the incident ion in silicon in the high energy region provides valuable feedback for gaining insight into the occurrence of SEU.     

Electron Impact Excitations and Linear Polarization for 1s2 1S0-1s2p3,1P1 Lines of Fe24＋ Ions under Screened Coulomb Interactions

Electron impact excitation cross sections from the ground state to the individual magnetic sublevels of 1s2p 3＇1P1 states in high-temperature dense plasmas are calculated for highly charged He-like Fe24＋ ions by using a fully relativistic distorted-wave method. The Debye-Huckel screening model is used to screen the projectile electron from the nucleus and target electrons. The linear polarization degrees for these lines are obtained. It is found that the cross sections at all incident energies decrease with the increase of the screening for these excitations. The influence of screening on linear polarization degrees of the 1P1 line is very small. The linear polarization degrees of aP1 line decrease sharply at low incident energy with the increase of the screening.     

中能轻奇异核反应总截面的激发函数测量

通过对中能区和相对论能区反应总截面的比较, 可对了解核中核子密度分布的尾巴分量提供重要的信息, Ｇｌａｕｂｅｒ 模型的计算总是低估中能区的反应总截面, 对中子晕核和中子皮核, 这种低估更为严重． 因此, 基于 Ｇｌａｕｂｅｒ 模型从反应总截面提取核的大小存在着一些问题． 对一些轻的奇异核进行中能区核反应总截面的激发函数测量可能会有助于上述问题的解决.A comparison of interaction cross section at relativistic and intermediate energy provides important information about the existence of tail component in the density distribution. The Glauber model calculation always underestimates the total reaction cross section at intermediate energy. The differences are enhanced for halo and skin nuclei. The method to extract the size of nuclei via Glauber model seems to have some ambiguity. The excitation function of total reaction...     

Photoionization of Ge^13＋ in the Inner-Shell 2p Excitation Energy Region

The photoionization cross sections of the levels belonging to the ground configuration [Ne]3s^2 3p^6 3d of Ge^13＋ are investigated using the fully relativistic R-matrix method in the 2p - 3d excitation region. The photoionization cross section is dominated by 2p - 3d resonances. The detailed resonance structures are described and analysed with the resonance positions, widths and oscillator strengths to be determined. Good agreement is obtained between the length and velocity forms of the resonance oscillator strengths. The relative difference is less than 8%.     

原子核对光电离截面的影响

利用Dirac-Slater相对论平均自洽场理论,研究了不同原子体系光电离截面在不同核模型下的差异.考虑原子核大小时,核的尺寸效应使电子所感受到的有效核电荷减小,并进而影响到电子的概率分布及光电离截面等;对没有考虑原子核大小的点模型,由于不存在核的尺寸效应,出射光电子的波函数有较大相移,从而有可能出现Cooper极小.当入射光子的能量远大于相关电子的电离能时,不同核模型下电子束缚能及平均半径等的差异将相对减小,从而使光电离截面随入射光子能量的变化趋于一致.     

Na原子及类Na离子Fe15+价壳层光电离过程的理论研究

采用相对论多组态Dirac-Fock理论,计算了Na原子及类Na离子Fe15++基态的光电离截面.对Na原子,考虑相对论效应与弛豫效应,本文计算结果与前人计算结果和实验测量结果一致性较好.对Fe15+离子的最外价电子,相对论效应对其光电离过程产生主要影响,而轨道弛豫效应则可忽略不计;对中性Na原子则情况完全不同:轨道弛豫效应的影响非常显著,但其光电离截面对相对论效应仅有非常微弱的依赖.     

Calculation of the photoionization cross sections for the ions of the rubidium isoelectronic sequence by the Dirac-Fock method

The photoionization cross sections for the ground and some excited states of 11 ions of the rubidium isoelectronic sequence from Rb through Ag¹⁰⁺ are calculated by the relativistic Dirac-Fock self-consistent field method. The energy dependence of the photoionization cross sections and the changes in the threshold values along the isoelectronic sequence are considered. The influence of the exchange effect and the choice of gauge on the calculated values of photoionization cross sections is examined. For practical use, the calculated cross sections are approximated by an analytical expression. Along with the total photoionization cross sections, the asymmetry parameter in the angular distribution of photoelectrons and the degree of their polarization are also calculated.     

高离化态离子及其光电离过程基本特征的理论研究

在Dirac-Slater相对论理论框架下,研究了HCI（高离化态离子）的基本性质及其光电离过程的基本特征. 通常HCI的电场非常强,其电子波函数沿靠近核的径向空间被压缩,这极大地改变了相应的物质的性质,使HCI的光电离过程与一般的原子（离子）的相比较有很大的不同：原子核的尺寸效应和相对论效应变得更加重要,而多极效应对光电离截面的影响却趋于减弱.     

高离化态离子及其光电离过程基本特征的理论研究

在Dirac-Slater相对论理论框架下,研究了HCI(高离化态离子)的基本性质及其光电离过程的基本特征.通常HCI的电场非常强,其电子波函数沿靠近核的径向空间被压缩,这极大地改变了相应的物质的性质,使HCI的光电离过程与一般的原子(离子)的相比较有很大的不同:原子核的尺寸效应和相对论效应变得更加重要,而多极效应对光电离截面的影响却趋于减弱.     

Inner-shell ionization of atoms by electron,positron and photon impacts

Plane wave Born approximation with Coulomb, relativistic and exchange corrections is employed to obtain L1-, L2- and L3-subshell ionization cross sections of several atoms due to electron and positron impacts for projectile energy varying from the threshold of ionization to 60 times the threshold energy. Photoionization cross sections for all the three L-subshells of the atoms are also calculated using the hydrogenic approximation for the atomic wave functions. For L3-subshell the present cross sections due to electron impact are in good agreement with a number of experimental data for different atoms over the entire energy range investigated. For L1- and L2-subshells the present calculations yield qualitative agreement with the experimental data. The agreement between the present results and the limited experimental data for positron impact is also satisfactory. The hydrogenic approximation for the L-subshell photoionization is found to be good at small photon energies but it underestimates the cross sections at large photon energies.     

Bi80+辐射复合过程的计算

基于Dirac-Slater自洽场方法，计算了Bi⁷⁹⁺离子从低能到高能的光电离截面以及其逆过程Bi⁸⁰⁺的辐射复合截面; 分析了Kramers公式的适用性；考察了多极效应 、相对论效应在不同能区对辐射复合截面的影响；计算了Bi⁸⁰⁺离子在电离阈值附近 的辐射 复合截面和辐射复合速率系数，考察了自由电子分布函数及电子的温度变化对速率系数的影 响，并将计算结果同高精度的储存环合并束实验进行了对比. 关键词： 多极计算 辐射复合 光电离     

Photoionization cross section of Ne-like Cu XX with J=1

Relativistic calculations of photoionization cross sections of Ne-like Cu XX using the Breit–Pauli R-matrix method in close-coupling approximation and fully relativistic distorted-wave method are reported. In the present work, the relativistic distorted-wave method is employed to calculate the fine-structure energy levels and radial functions, and the Breit–Pauli R-matrix method is employed to calculate photoionizaton cross section for photon energy from 124.2 Ryd to 208 Ryd. Resonance structure in the photoionization of Ne-like Cu XX for ejection of 2p or 2s electron from the ground 2s²2p^{6 1}S₀ has been studied.     

C原子、离子光电离过程的规律研究

 基于Dirac-Slater自洽场方法，计算了C原子及各价离子从低能到高能的光电离截面。通过各种理论计算结果的比较，分析了Kramers公式的适用性。定量地考察了多极效应和相对论效应在不同能区对光电离截面的影响，并研究了光电离截面随光子能量、壳层、电离度变化的规律。