首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 31 毫秒
1.
牟致栋 《物理学报》2019,68(6):63101-063101
用HFR(Hartree-Fock with relativistic corrections)方法对Rb V—Cd XVI离子4s24p3和4s4p4组态能级结构做了全面系统的理论计算研究. 通过分析能级结构参数的HFR理论计算值与基于实验能级拟合得到的计算值之比值随着原子序数Zc变化的规律,运用广义拟合外推方法预言了这些离子能级结构参数. 由此进一步计算了Rh XⅢ,Pd XIV,Ag XV和Cd XVI离子4s24p34S3/2,2P1/2,3/2,2D3/2,5/2)和4s4p44P1/2,3/2,5/2,2P1/2,3/2,2D3/2,5/2,2S1/2)组态能级以及电偶极跃迁波长与振子强度. 研究表明,对于4s24p3组态,单组态近似可以得到较满意的结果;而对于4s4p4组态,只有在考虑了4s24p24d的组态相互作用效应时,计算结果的准确性才能明显得到提高. 同时,本文还运用全相对论grasp2K-DEV程序包计算了Rh XⅢ—Cd XVI离子组态能级. 对于Rh XⅢ离子4s24p32P1/2),Pd XIV离子4s24p34S3/2,2P1/2,3/2,2D3/2,5/2)和4s4p42P1/2,3/2,2D3/2,5/2,2S1/2),能级均无实验值;对于Ag XV和Cd XVI离子,截至目前还没实验能级数据,没有实验能级值的所有数据均仅来自本文的计算数值. 本文计算结果与已有实验值吻合得很好.  相似文献   

2.
牟致栋  魏琦瑛 《物理学报》2013,62(10):103101-103101
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)4p2F7/2–3d9 (2D)4s2 2D5/2 的跃迁谱线, 而不属于3d94s (1D)4p4D7/2–3d9(2D)4s2 2D5/2 的跃迁谱线, 即上谱项能级为2F7/2, 而不是4D7/2. 关键词: Nb XIII离子 二电子激发组态 谱线波长 跃迁概率  相似文献   

3.
Relativistic configuration interaction calculations for the states of 1s22s2, 1s22s3l (l=s,p,d) and 1s22p3l (l=s,p,d) configurations of iron are carried out using relativistic configuration interaction (RCI) and multi-configuration Dirac-Fock (MCDF) method in the active interaction approach. In the present calculation, a large-scale configuration expansion was used in describing the target states. These results are extensively compared with other available calculative and experimental and observed values, the corresponding present results are in good agreement with experimental and observed values, and some differences are found with other available calculative values. Because more relativistic effects are considered than before, the present results should be more accurate and reliable.  相似文献   

4.
本文报道了波长在2000—194?真空紫外区域内Ar的高次离化光谱工作。观察到相当数量的新谱线,并归属了其中64条,还找到六个新能级,即:ArIV 3s23p2(3P)3d2F5/2,7/2, ArIV 3s23p2(1D)3d2S1/2, ArV3s23p3d关键词:  相似文献   

5.
We performed R-matrix calculations for photoionization cross sections of the two ground state configuration 3s23p5 (2Po3/2,1/2) levels and 12 excited states of Ni XII using relativistic Dirac Atomic R-matrix Codes (DARC) across the photon energy range between the ionizations thresholds of the corresponding states and well above the thresholds of the last level of the Ni XIII target ion. Generally, a good agreement is obtained between our results and the earlier theoretical photoionization cross sections. Moreover, we have used two independent fully relativistic GRASP and FAC codes to calculate fine-structure energy levels, wavelengths, oscillator strengths, transitions rates among the lowest 48 levels belonging to the configuration (3s23p4, 3s3p5, 3p6, 3s23p33d) in Ni XIII. Additionally, radiative lifetimes of all the excited states of Ni XIII are presented. Our results of the atomic structure of Ni XIII show good agreement with other theoretical and experimental results available in the literature. A good agreement is found between our calculated lifetimes and the experimental ones. Our present results are useful for plasma diagnostic of fusion and astrophysical plasmas.  相似文献   

6.
The nonrelativistic dipole-length, -velocity and -acceleration absorption oscillator strengths for the 1s22s-1s22p transitions of the lithium isoelectronic sequence from Z=11 to 20 are calculated by using the energies and the multiconfiguration interaction wave functions obtained from a full core plus correlation (FCPC) method. In most cases, the agreement between the oscillator strengths values from the length and velocity formula is up to four or five digit. Our results are also in good agreement with previous theoretical data available in the literature.  相似文献   

7.
Bao-Ling Shi 《中国物理 B》2022,31(5):53102-053102
Atomic data of highly charged ions (HCIs) offer an attractive means for plasma diagnostic and stars identification, and the investigations on atomic data are highly desirable. Herein, based on the fully relativistic multi-configuration Dirac-Hartree-Fock (MCDHF) method, we have performed calculations of the fine-structure energy levels, wavelengths, transition rates, oscillator strengths, and line strengths for the lowest 21 states of 3p63d8-3p53d9 electric dipole (E1) transitions configurations in Fe-like ions (Z = 57, 60, 62, 64, 65). The correlation effects of valence-valence (VV) and core-valence (CV) electrons were systematically considered. In addition, we have taken into account transverse-photon (Breit) interaction and quantum electrodynamics (QED) corrections to treat accurately the atomic state wave functions in the final relativistic configuration interaction (RCI) calculations. Our calculated energy levels and transition wavelengths are in excellent agreement with the available experimental and theoretical results. Most importantly, we predicted some new transition parameters that have not yet been reported. These data would further provide critical insights into better analyzing the physical processes of various astrophysical plasmas.  相似文献   

8.
用多组态Dirac-Fock和相对论组态相互作用的扩展优化能级方法,在计算中包含了Breit相互作用,真空极化,自能以及有限核质量修正,计算了核电荷数从Z=6到80的类铍离子等电子序列的1s22s2p 3P1, 2的精细结构能级,磁偶极跃迁几率和振子强度。结果与目前可靠的结果在其不确定度范围内符合得很好,另外也得到一些与其他早期理论计算不同的结果。  相似文献   

9.
Full quantum calculations are performed to investigate the broadening profiles of the atomic lithium Li(2s-2p) resonance line induced by interactions with ground Ne(2s~22p~6) perturbers in the spectral wings and core. The X~2Σ~+, A~2Π,and B~2Σ~+ potential-energy curves of the two first low lying Li Ne molecular states, as well as the corresponding transition dipole moments, are determined with ab initio methods based on the SA-CASSCF-MRCI calculations. The emission and absorption coefficients in the wavelength range 550-800 nm and the line-core width and shift are investigated theoretically for temperatures ranging from 130 K to 3000 K. Their temperature dependence is analyzed, and the obtained results are compared with the previous experimental measurements and theoretical works.  相似文献   

10.
In this work, ionization potentials and quantum effects of 1s2np2P Rydberg states of lithium are calculated based on the calibrated quantum defect function. Energy levels and quantum defects for 1s2np2P bound states and their adjacent continuum states are calculated with the R-matrix theory, and then the quantum defect function of the 1s2np (n≥7) channel is obtained, which varies smoothly with the energy based on the quantum defect theory. The accurate quantum defect of the 1s27p2P state derived from the experimental data is used to calibrate the original quantum defect function. The new function is used to calculate ionization potentials and quantum effects of 1s2np2P (n≥7) Rydberg states. Present calculations are in agreement with recent experimental data in whole.  相似文献   

11.
王金霞  师应龙  张登红  颉录有  董晨钟 《物理学报》2013,62(23):233401-233401
基于多组态Dirac-Fock 方法和密度矩阵理论,本文详细计算了高电荷态类锂离子(26 ≤ Z ≤ 92)KLL 双电子复合过程中,自由电子被共振俘获到中间双激发态1s2s22p3/2J = 1 的磁子能级截面以及该双激发态的取向参数,进而得到了此激发态向基态电偶极辐射跃迁1s2s22p3/2J = 1→1s22s2J = 0 所发出光子的角分布和极化度,重点讨论了Breit 相互作用对相关物理量的影响. 研究表明,Breit 相互作用极大地改变了中间双激发态1s2s22p3/2J = 1 不同磁子能级的截面,从而导致了随后退激发放出光子的角分布和极化特性的显著变化. 关键词: 角分布和极化特性 多组态Dirac-Fock方法 密度矩阵理论  相似文献   

12.
孟举  李文显  李冀光  吴泽清  颜君  吴勇  王建国 《中国物理 B》2022,31(1):13101-013101
Systematic calculations and assessments are performed for the magnetic dipole(M1)transition energies and rates between the 2Fo5/2,7/2 levels in the ground configuration 4d104f along the Ag-like isoelectronic sequence with 62≤Z≤94 based on the second-order many-body perturbation theory implemented in the Flexible Atomic Code.The electron correlations,Breit interaction and quantum electrodynamics effects are taken into account in the present calculations.The accuracy and reliability of our results are evaluated through comprehensive comparisons with available measurements and other theoretical results.For transition energies,our results are in good agreement with the recent experimental data obtained from the electron beam ion traps within 0.18%.The maximum discrepancy between our results and those obtained with the large-scale multiconfiguration Dirac–Hartee–Fock calculations by Grumer et al.[Phys.Rev.A 89062501(2014)]is less than 0.13%along the isoelectronic sequence.Furthermore,the corresponding M1 transition rates are also reported.The present results can be used as the benchmark and useful for spectra simulation and diagnostics of astrophysical and fusion plasmas.  相似文献   

13.
Kanti M Aggarwal 《中国物理 B》2016,25(4):43201-043201
Recently, S. Aggarwal [Chin. Phys. B 23 (2014) 093203] reported energy levels, radiative rates, and the lifetimes for the lowest 60 levels belonging to the 2s22p5, 2s2p6, and 2s22p43l configurations of F-like tungsten. There is no discrepancy for his calculated energies for the levels and the radiative rates for the limited number of E1 transitions, but the reported results for the lifetimes are highly inaccurate. According to our calculations, errors in his reported lifetimes are up to 6 orders of magnitude for several levels. Here we report the correct lifetimes for future comparisons and applications, and also explain the reason for the discrepancies.  相似文献   

14.
Using the fully relativistic configuration interaction (RCI) method and the multi-configuration Dirac-Fock (MCDF) method and taking quantum electrodynamical (QED) effect and Breit correction into account, wavelengths, transition probabilities and oscillator strengths were calculated for electric dipole (E1) transitions and magnetic dipole (M1) transitions in Au50+ ion. The obtained energy levels of some excited states and wavelengths of transitions in Au50+ ion from the method were compared with other theoretical and experimental results, and a good agreement with other results was shown. The calculated transition probabilities and oscillator strengths in E1 transitions using the velocity and length gauges respectively confirmed the accuracy of our calculations. The calculation results indicated that for high-Z highly ionized atom, some forbidden transitions could be very important.  相似文献   

15.
余庚华  颜辉  高当丽  赵朋义  刘鸿  朱晓玲  杨维 《物理学报》2018,67(1):13101-013101
采用相对论多组态相互作用方法研究了Mg~+离子3s~2S_(1/2)—3s~2P_(1/2)和3s~2S_(1/2)—3s~2P_(3/2)两条跃迁谱线的特殊质量位移系数和场位移因子,并计算了中子数8≤N≤20的Mg~+离子的同位素位移.计算结果与其他理论的计算值符合得比较好,与最新的实验测量结果比较,相对误差在0.13%到0.28%范围,是目前最接近Mg~+离子同位素位移实验测量的理论计算结果.该计算结果可为Mg~+离子同位素位移实验和理论研究提供参考,能够用于Mg~+离子的短寿命同位素的光谱测量实验以及利用Mg~+离子开展幻中子数N=8和N=20附近的奇异原子核特性研究等.所用的计算方法和电子激发模式也可以推广到其他核外电子数为11的多电子体系,用于开展相应的原子光谱结构计算和同位素位移的理论研究.  相似文献   

16.
实验中测量了0.38V_(Bohr)(460 keV)高电荷态Xe~(q+)(4≤q≤20)离子轰击高纯Ni表面发射的400-510 nm光谱.实验结果包括NiⅠ原子谱线,NiⅡ离子谱线,以及入射离子中性化发射的XeⅠ,XeⅡ和XeⅢ谱线.研究了谱线XeⅡ410.419,XeⅢ430.444,XeⅡ434.200,XeⅡ486.254,NiⅠ498.245,NiⅠ501.697,NiⅠ503.502,NiⅠ505.061和NiⅠ508.293 nm的光子产额随着入射离子电荷态的变化.结果表明,入射离子中性化和溅射Ni原子发射谱线的光子产额随着入射离子电荷态的增加而增加,其趋势与入射离子势能一致.  相似文献   

17.
The nonrelativistic energies for lithium isoelectronic sequence 1s2ng and 1s2nh (n=5, 6, 7, and 8) states from Z=3 to 8 are calculated by using a full core plus correlation (FCPC) method with multiconfiguration interaction wave functions. Relativistic and mass-polarization effects on the energy are evaluated as the first-order perturbation theory. Our predicted excitation energies are compared with previous experimental results in the literature.  相似文献   

18.
习金华  吴礼金 《物理学报》1992,41(3):370-378
本文采用Rayleigh-Schr?dinger微扰方法计算钪离子ScII 3d2的三重态3P23P1的超精细相互作用常数,并与实验作比较,计算结果表明,原子实的极化(特别是自旋极化)效应对磁偶极常数有着决定性的影响。 关键词:  相似文献   

19.
刘建鹏  李承斌  邹宏新 《中国物理 B》2017,26(10):103201-103201
Excitation energies, magnetic dipole, and electric quadrupole transition probabilities of the 3d~2 D_(3/2)–3d~2D_(5/2) transition in the potassium-like(K-like) sequence with 26≤Z≤36 are investigated by using the multi-configuration Dirac–Hartree–Fock(MCDHF) method. The contributions of the electron correlations, Breit interaction, and the leading-order quantum electrodynamic(QED) effects on the transition properties are analyzed. The present results are interested in the laboratory tokamak and the astronomical observations. Furthermore, the feasibility of these ions for the highly charged ion(HCI) clocks is discussed. Considering the wavelength of lasers and manipulation process of the atomic clocks, Cu~(10+)and Zn~(11+)are recommended as promising candidates with achievable quality factors at the 10~(15) level.  相似文献   

20.
In this paper, we present a model simulation to understand the electronic structure of BaBiO3. By treating two types of Bi sites with different valence configurations (6s2 6p3 6d0 and 7s06p36d0),t he valence instability in BaBiO3 is simulated. We shorv that an LMTO-ASA calculation can then give a semiconducting feature for this material and a good estimation of the gap, which is 1.6 eV from the present model compared with 2.0 eV from experiments. The existence of Bi3+ sites reduces greatly the overlapping integrals between Bi6s-O2p states and reduces correspondingly their band widths. The band gap appears because the antibonding bands of Bi6s-O2p now separate from the rest bands of Bi-O2p.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号