Excitation and decay dynamics of 1s2s inner-shell double-vacancy states of neon atoms

The photo-excitation and Auger decay processes of inner-shell double vacancy states 1s2s2p^6（1,3^S）3s3p of neutral neon atoms have been studied theoretically. Multi-configuration Dirac-Fock （MCDF） calculations have been carried out, with electron correlation effects taken into consideration. The relaxation of core and excited orbitals and configuration interaction are found to be crucial to creating the double vacancy states by single photo-absorption. The predominant decay paths for the double vacancy states turn out to be of the LLM Auger decay to 1s 2s^22p^53s（3p）, KLL Auger decay to 1s^22s2p^43s3p, and KLM Auger decay to 1s^22p^63s（3p）. They lead to further Auger decay, creating the neon ions of multiple charge states. For both double and single vacancy states the spectator type of Auger process is dominated in all the Auger decay processes. Theoretical Anger electron spectra are presented for further investigations, experimental and theoretical.     

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%.     

Multi-Configuration Distorted-Wave Approximation in Electron-Impact Ionization of Ar^2＋

A quasi-relativistic distorted-wave approximation is developed to investigate the direct electron-impact ionization processes, in which the configuration interactions are considered in the initial and final states of target. As an example, the direct detailed-level electron-impact ionization cross sections for the ground and low excited states of Ar^6＋ （3s^2, 3p^2, 3s3d） are calculated in the energy range from 1.02 to 15Ith （ Ith the ionization threshold）. Comparison with the available data demonstrates that our results are reasonable. The effects of configuration interactions are discussed, and the validity of transformation principles by statistical weights between configuration-averaged and detailed-level electron-impact ionization cross sections is analysed.     

Absolute Cross Sections for Near-Threshold Electron-Impact Excitation of the 2s^2S→2p^2P Transition of Li-Like C^3＋, N^4＋, and O^5＋ Ions

Excitation cross sections of 1s^22s ^2S1/2 → 1s^22p^2p1/2,3/2 transition among the fine-structure levels in Li-like C^3＋, N^4＋, and O^5＋ ions are calculated for energies of the near-threshold by using the relativistic distorted-wave program REIE06. The target state wavefunctions are calculated by using the Grasp92 code. The continuum orbitals are studied in the distorted-wave approximation, in which the direct and exchange potentials among all the electrons are included. The results of the Li-like C^3＋ ion settle the discrepancy between several previous experiments by using the crossed-beams fluorescence method, in good agreement with the measurements of Savin et al. Moreover, the results in Li-like N^4＋, and O^5＋ ions are compared with the previous experiments, and a good agreement is obtained.     

Photoionization of 1s Electron and Corresponding Shake-Up Process in Ground and Excited Lithium Atoms

The cross sections of the ls electron photoionization and corresponding shake-up processes for Li atoms in the ground state 1s^22s and excited states 1s^22p, 1s^23s, 1s^23p and 1s^23d are calculated using the multi-configuration Dirac-Fock method. The latest experimental photoelectron spectrum at hv= 100 eV [Cubaynes D et al. Phys. Rev. Lett. 99 （2007） 213004] has been reproduced by the present theoretical investigation excellently. The relative intensity of the shake-up satellites shows that the effects of correlation and relaxation become more important for the higher excited states of the lithium atom, which are explained very well by the spatial overlap of the initial and final state wavefunctions. In addition, strong dependence of the cross section on the atomic orbitals of the valence electrons are found, especially near the threshold.     

Influence of relaxation effects on probabilities of the 2s2p35S2－2s22p2 3P1，2 intercombination transitions in NII

Transition probabilities of the 2s2p^3 {}^5S_2－2s^22p^2 {}^3P_{1,2} intercombination transitions in NII have been calculated by using a large-scale multiconfiguration Dirac－Fock method. In the calculation the most important effects of relativity, correlation, and relaxation are considered. From the calculated transition probabilities, the lifetime of the 2s2p^3 {}^5S_2 metastable state is derived. The result is in excellent agreement with the latest experimental result. In the meantime the influence of anomalously strong relaxation effects on probabilities of the 2s2p^3 {}^5S_2－2s^22p^2 {}^3P_{1,2} lines in NII have been found.     

Theoretical Analysis of Generalized Oscillator Strengths for Helium by R-Matrix Method

The high-energy electronic-impact excitation cross section is directly proportional to the generalized oscillators trength (GOS) of the target atom. The generalized oscillator strengths of helium atom from the ground state to the excited states (2^1S, 2^1P and 3^1D) are calculated using the updated R-matrix codes within the first Born approximation. Our calculation results are in good agreement with the previous theoretical and experimental results at high incident energies. In order to treat the bound-bound and bound-continuum transitions in a unified manner, the GOS density is defined based on the quantum defect theory. We calculate the GOS densities of ^1S, ^1p and ^1D charmels, namely the complete high-energy collision cross sections of electronic-impact excitations into all the n^1S, n^1P and n^1D excited states. In addition to high-energy excitation cross sections, a scheme to calculate the excitation cross sections for entire incident energy range is discussed.     

Calculation of Electron-Impact 2s^2 2p^4 ^3P→2p^3 3s^3S^0 Transition in Atomic Oxygen

The inelastic scattering of electron from oxygen for the 2s^2 2p^4 ^3P→2p^3 3s^3S^0 transirion is studied using the momentum-space coupled channel optical method at 15, 17.5, 20, 22.5, 25, 27.5, 30, 50, and 100eV. Direct ionization cross sections, i.e. differential and integral cross sections, are reported. Important continuum states are included in the coupled channel calculation via a complex equivalent-local optical potential. The present results are compared with the available experimental data and other theoretical calculation results.     

Scattering of protons and antiprotons by hydrogen atoms

The two-,four-,five-and fourteen-state approximations of the inpact parameter method have been applied to the excitation of hydrogen atoms by proton(p)and antiproton(p) impact.The effect of both channel and back couplings on the 2s and 2p excitations are investigated.The total cross sections are calculated for incident energies ranging from 1 to 2500keV.it is found that the effect of both channel and back couplings on the antiproton-induced reactions is greater than on that induced by protons.We compare the results with those of other theoretical and experimental works.     

Low—Lying Resonance States of Slow Electron Collisions With Atomic Oxygen

A 39-target state close-coupling calculation of low-energy electron scattering from atomic oxygen is carried out with core-valence electron correlation by using R-matrix method. It is shown that the elastic cross section has a huge and sharp increase with the electron energy going down below 1eV. This remarkable structure is attributed to a few very low-lying potential resonances and the features of these resonances are given with partial cross sections. It is also shown that after considering excitations of two electrons from 2s shell, the three lowest atomic energy levels are in agreement with experimental results better than that just considering excitations of two electrons from the 2p shell as well as only one electron from the 2s shell. Elastic and two excitation (^3P→^1D and ^3P→^1S) cross sections are given and compared with the other theoretical and experimental results.     

Theoretical Study on Inner Shell Electron Impact Excitation of Lithium

Cross sections for electron impact excitation of lithium from the ground state 1s^22s to the excited states 1s2s^2, 1s2p^2, 1s2snp （n = 2-5）, 1s2sns （n = 3 5）, 1s2pns （n = 3-5）, and 1s2pnp （n = 3-5） are calculated by using a full relativistic distorted wave method. The latest experimental electron energy loss spectra for inner-shell electron excitations of lithium at a given incident electron energy of 2500 eV [Chin. Phys. Lett. 25 （2008）3649] have been reproduced by the present theoretical investigation excellently. At the same time, the structures of electron energy loss spectra of lithium at low incident electron energy are also predicted theoretically, it is found that the electron energy loss spectra in the energy region of 55-57eV show two-peak structures.     

Ca原子4s2-4s4p电子碰撞激发特性

基于全相对论扭曲波（RDW）电子碰撞激发计算程序REIE06,系统计算了Ca原子基态3p64s2 1S0到激发态3p64s4p 3P0,1,2 1P1精细结构能级的碰撞截面,总结了在不同入射电子能量下碰撞截面的变化规律。目前计算中,细致考虑了电子关联效应和Breit相互作用,计算结果与已有的理论计算进行比较,对实验值的相对误差较小。     

Ca原子4s~2-4s4p电子碰撞激发特性

基于全相对论扭曲波电子碰撞激发计算程序REIE06,系统计算了Ca原子基态3p~64s~(21)S_0到激发态3p~64s4p~3P_(0,1,2)~1P_1精细结构能级的碰撞截面,总结了在不同入射电子能量下碰撞截面的变化规律.目前计算中,细致考虑了电子关联效应和Breit相互作用,计算结果与已有的理论计算进行比较,对实验值的相对误差较小.     

Inner Shell Excitations of Lithium Studied by Fast Electron Impact

Electron energy loss spectra for the inner shell excitations of atomic lithium are measured at an incident electron energy of 2500eV and scattering angles of 0^o, 2^o, 4^o and 6^o. Two optically forbidden transitions of （ls2s^2）^2S and （ ls2s ^3 S）3s^2 S are observed. The generalized oscillator strength ratios for ls（2s2p^3 P）2 P^0 to 1s（ 2s2p^1 P）2 P^0 were determined, and they are independent of the momentum transfer.     

Breit相互作用对类氦离子亚稳态1s2s 3S1电子碰撞激发截面的影响

利用新近发展的基于全相对论扭曲波方法研究电子-离子碰撞激发过程的计算程序,通过对Breit相互作用的考虑,计算了类氦等电子序列离子从亚稳态1s2s³S₁激发2s电子到n=2,3壳层的电子碰撞激发截面;研究了不同入射电子能量时Breit相互作用对碰撞激发截面的影响,进一步总结了沿等电子序列变化时,Breit相互作用对截面影响的一般规律.部分计算结果与实验结果进行了比较,得到了很好的一致性. 关键词： 全相对论扭曲波方法 Breit相互作用 电子碰撞激发截面     

Polarization of Radiation Emitted after Electron Impact Excitation

A programme is developed to calculate the polarizations of the radiation emitted after electron impact excitation. The fully relativistic distorted-wave method is used in cross-section calculations. The programme is applied to He- and Li-like ions. The calculated values of line polarization are compared with other theoretical results and experimental values. For He-like U, at lower incident energy, the present polarization agrees with the other theoretical ones within 1%, while at higher energy, the differences increase up to about 10%. For He-like Fe and Ti, the present results of polarization degree for most of the lines agree with the experimental data within the experimental error bars. For the Li-like Ti line q （ls2s2p^2p3/2 to ls^22s）, the present value of the polarization agree excellently with another theoretical one, and both the values are consistent with the measured data within the experimental error bar.     

Low-energy electron scattering from copper

Differential cross sections for the elastic scattering of electrons from the ground states of copper for the configuration 3d¹⁰ 4s and the excitation state ²D with the configuration 3d⁹ 4s² have been calculated. Local density approximations to the exchange and correlation potentials have been used in these calculations, and it is confirmed that Hara exchange coupled with a Hedin-Lundqvist electron-gas-type correlation potential joined to an adiabatic polarization potential gives good predictions for differential cross sections. A comparison of the calculated results with other experimental and theoretical data are presented and discussed.     

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：     

Dielectronic Recombination of Sn^10＋ Ions and Related Satellite Spectra

Based on the multi-configuration Dirac-Fock method, theoretical calculations are carried out for the dielectronic recombination （DR） rate coefficients and the collision excitation rate coefficients of Sn^10＋ ions. It is found that the total DR rate coefficient has its maximum value between 10eV and 100eV and is greater than either the radiative recombination or three-body recombination rate coefficients （the number of free electrons per unit is 10^21 cm^3） for the ease of Te 〉 1 eV. Therefore, DR can strongly influence the ionization balance of laser produced multi-charged tin ions. The related dieleetronie satellite cannot be ignored at low temperature Te 〈 5 eV.