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Polarization and Angular Distribution of Ll X-Ray Following Inner-Shell 2p3/2 Photoionization of Magnesium-Like Ions 下载免费PDF全文
The inner-shell 2pa/2 photoionization and the subsequent decay of Mg-like Fe^14+, Cd^36+, W^62+ and U^80+ ions are studied theoretically within the multiconfiguration Dirac-Fock method and the density matrix theory. Special attention is paid to exploring the influence of the non-dipole terms which arise from the multipole expansion of the electron-photon interaction in the photoionization process. The results show that the non-dipole contribution to the total cross section, the magnetic sublevels cross section of the photoionization process, the degree of linear polarization and angular distribution of the subsequent characteristic x-ray radiation become more important with the increase of photons energy and atomic nuclear Z. Especially for the cross section and the degree of linear polarization, the non-dipole contribution arrives at 50% for U^80+ at four time energy threshold units. However, for the angular distribution, the maximum contribution does not exceed 4%, even for U^80+ ions. 相似文献
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利用B3LYP杂化密度泛函方法,在相对论有效芯势模型下,优化得到了NpO22+离子及其配合物在气相和水溶液中的几何结构和电子结构, 研究了NO3-、SO42-和CO32-离子及其水溶液对NpO22+离子的结构和性质的影响.结果表明,NpO22+离子结合各种酸根离子后其Np=O键的键长都有明显增长、Np和O原子的价电子轨道能均有升高,而考虑溶剂化效应后酸根离子的影响将减小.电荷分析发现,结合酸根离子后,NpO22+中Np和O原子间形成的共价键的强度减弱、键长增长.对NpO22+离子与三种酸根离子的理论结合能的比较显示,NpO2CO3分子最为稳定. 相似文献
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In a recent XUV photoabsorption spectrum of Cs Ⅲ ions by Cummings and O'Sullivan [2001 J. Phys. B 34 199], rather large linewidths were found for the 4d^95s^25p^6 - 4d^105s^25p^5 transition which are quite in disagreement with corresponding quasi-relativistic multiconfiguration Hartree Fock (MCHF) calculation. In the present work, a detailed multiconfiguration Dirac-Fock study has been carried out to explore this discrepancy. Owing to the detailed consideration of electron correlation effects, some ‘forbidden' Auger decay channels, such as 4d^105s^25p^35d and 4d^105s^05p^6, would become ‘open'. As a result, remarkable improvement of the linewidths has been obtained in our calculation. Furthermore, the theoretical Auger spectrum of the 4d^ 95s^25p^6 core-excited states of Cs Ⅲ ions is Riven in the present work. 相似文献
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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. 相似文献
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基于多组态Dirac-Fock理论方法,利用GRASP92和RATIP以及在此基础上最新发展的RERR06程序,对类氢U91+(1s)离子的辐射复合截面以及辐射退激发过程进行了详细的理论研究.系统地计算了具有确定能量的连续电子被处于基态的类氢U91+(1s)离子俘获到nl (1≤n≤8, 0≤l≤6)轨道形成类氦U90+(1snl)离子的辐射复合截面,并研究了这辐射复合末态退激发谱的相对强度.研究发现,类氢U91+(1s)离子辐射复合到不同轨道的截面随其主量子数的增大而显著减小;同时,辐射复合末态的退激发对Kα谱线的相对强度有重要影响.
关键词:
辐射复合
多组态Dirac-Fock理论方法
辐射退激发 相似文献
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利用多组态Dirac-Fock(MCDF)方法与准相对论组态相互作用方法,分别详细计算了低Z、中Z和高Z原子(离子)各个壳层上电子的束缚能、平均轨道半径、总束缚能、激发能、精细结构能级以及类Ne等电子系列离子的2p53s 1,3P1-2p6 1S0跃迁能,并且对这两种方法的结果进行了数值比较. 相似文献
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Resonance Energies,Absorption Oscillator Strengths and Ionization Potentials for the Element Hassium (Z = 108) 下载免费PDF全文
On the basis of successfully predicting low-lying energy levels for the element fermium (Z = 100), we calculate the resonance energies, absorption oscillator strengths and the first ionization potential of the element hassium (Z = 108) by taking important relativistic and improved electron correlation effects into account using the multiconfiguration Dirac Fock method. These calculations are carried out with the aim of assisting experimental investigations of hassium. 相似文献
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利用基于多组态Dirac-Fock(MCDF)方法的原子结构性质计算程序包GRASP 2K,在考虑和不考虑相对论效应的情况下,分别计算了超铀元素镎的外壳层电子轨道波函数和轨道束缚能,分析了相对论效应对轨道波函数以及束缚能的影响,并讨论了相对论效应对锕系元素原子半径收缩的影响. 相似文献