An extended multireference procedure of the transition energies, probabilities, and lifetimes of carbon-like W LXIX using the multiconfiguration Dirac–Hartree–Fock (MCDHF) method

IF 1.9 3区 物理与天体物理 Q2 OPTICS
Najah Alwadie , I.S. Mahmoud , Lamia Abu El Maati , M. Ahmad
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引用次数: 0

Abstract

Within the framework of the multiconfiguration Dirac-Hartree–Fock (MCDHF) approach, the transition energies, lifetimes, and probabilities of carbon-like W LXIX were computed using an extended multireference (Ex-MR) procedure. The static electron correlation effect was addressed by expanding the multireference (MR) method to incorporate not only the desired even configurations 2s22p2, 2p4, 2s22p3p, 2s2p23s, 2p33p, 2s2p23d and odd 2s2p3, 2s2p23p, 2s22p3s, 2s22p3d, 2p33d, 2p33s, but also configuration state functions (CSF) that make substantial contributions to the overall wave functions, with mixing coefficients of 0.03. The dynamic electron correlation effect was included by expanding the atomic state expansions with CSFs, which were created by allowing unrestricted single-double (SD) electron substitutions from the EX-MR to four layers with the principal quantum numbers n 6. We compared the current results with the available computations provided by MCDHF and FAC. The data that are being calculated are useful for many astrophysical tasks, mainly finding spectral lines and diagnostics of fusion and astrophysical plasma.
用多组态Dirac-Hartree-Fock (MCDHF)方法求解类碳wlxix的跃迁能、概率和寿命的扩展多参考过程
在多构型Dirac-Hartree-Fock (MCDHF)方法的框架下,使用扩展多参考(Ex-MR)程序计算了类碳W LXIX的跃迁能、寿命和概率。通过扩展多参考(MR)方法来解决静态电子相关效应,不仅包含所需的偶态2s22p2, 2p4, 2s22p3p, 2s2p23s, 2p33p, 2s2p23d和奇数态2s2p3, 2s2p23p, 2s22p3s, 2s22p3d, 2p33d, 2p33s,还包括对整体波函数有重要贡献的组态函数(CSF),混合系数≥0.03。动态电子相关效应是通过将原子态展开与CSFs进行扩展来实现的,该扩展是通过允许从EX-MR到主量子数n≤6的四层不受限制的单-双(SD)电子取代而产生的。我们将目前的结果与MCDHF和FAC提供的可用计算进行了比较。正在计算的数据对许多天体物理任务都很有用,主要是寻找谱线和诊断聚变和天体物理等离子体。
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来源期刊
CiteScore
5.30
自引率
21.70%
发文量
273
审稿时长
58 days
期刊介绍: Papers with the following subject areas are suitable for publication in the Journal of Quantitative Spectroscopy and Radiative Transfer: - Theoretical and experimental aspects of the spectra of atoms, molecules, ions, and plasmas. - Spectral lineshape studies including models and computational algorithms. - Atmospheric spectroscopy. - Theoretical and experimental aspects of light scattering. - Application of light scattering in particle characterization and remote sensing. - Application of light scattering in biological sciences and medicine. - Radiative transfer in absorbing, emitting, and scattering media. - Radiative transfer in stochastic media.
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