N II中2s2p[公式略]([公式略]P)3p构型的跃迁速率和电子相关效应

IF 2.3 3区 物理与天体物理 Q2 OPTICS Journal of Quantitative Spectroscopy & Radiative Transfer Pub Date : 2025-01-09 DOI:10.1016/j.jqsrt.2025.109339
Xiaozhi Shen, Juan Liu, Chenming Wang, Huaying Wang, Zhanbin Chen, Yan Sun
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Meanwhile, by studying the effects of electron correlations on the energy levels and transition rates of 2s2p<mml:math altimg=\"si129.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> (<mml:math altimg=\"si130.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msup></mml:math>P)3p configuration, it is found that the valence correlations of active space <mml:math altimg=\"si5.svg\" display=\"inline\"><mml:mrow><mml:mi>n</mml:mi><mml:mi>l</mml:mi></mml:mrow></mml:math> = {<mml:math altimg=\"si3183.svg\" display=\"inline\"><mml:mi>n</mml:mi></mml:math> = 2–7, <mml:math altimg=\"si235.svg\" display=\"inline\"><mml:mi>l</mml:mi></mml:math> = s–i} and the core correlations with regard to 1<mml:math altimg=\"si8.svg\" display=\"inline\"><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> electrons have the strongly adjusted effect and the balancing influence, respectively. Furthermore, the quintet transitions 2s2p<mml:math altimg=\"si129.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> (<mml:math altimg=\"si130.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msup></mml:math>P)3s <mml:math altimg=\"si144.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>5</mml:mn></mml:mrow></mml:msup></mml:math>P–2s2p<mml:math altimg=\"si129.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> (<mml:math altimg=\"si130.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msup></mml:math>P)3p <mml:math altimg=\"si144.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>5</mml:mn></mml:mrow></mml:msup></mml:math>L<mml:math altimg=\"si145.svg\" display=\"inline\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mo>∘</mml:mo></mml:mrow></mml:msup></mml:math> (L = P, D) are found to strictly obey the selection rule <mml:math altimg=\"si3236.svg\" display=\"inline\"><mml:mi>Δ</mml:mi></mml:math>S = 0. The branching fractions under this case tend to 1, which is a peculiarly intrinsic property that is recommended to diagnose the lifetimes or rates of quintet states.","PeriodicalId":16935,"journal":{"name":"Journal of Quantitative Spectroscopy & Radiative Transfer","volume":"31 1","pages":""},"PeriodicalIF":2.3000,"publicationDate":"2025-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Transition rates and electron correlation effects for the 2s2p[formula omitted] ([formula omitted]P)3p configuration in N II\",\"authors\":\"Xiaozhi Shen, Juan Liu, Chenming Wang, Huaying Wang, Zhanbin Chen, Yan Sun\",\"doi\":\"10.1016/j.jqsrt.2025.109339\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Based on the multiconfiguration Dirac–Hartree–Fock (MCDHF) method, accurate atomic spectra data including the transition rates, line strengths, and oscillator strengths for the inner-shell excited configuration 2s2p<mml:math altimg=\\\"si129.svg\\\" display=\\\"inline\\\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> (<mml:math altimg=\\\"si130.svg\\\" display=\\\"inline\\\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msup></mml:math>P)3p in N II ion are reported by taking into account the core-core, core-valence and valence correlation effects as well as the Breit interaction. Good accordance can be found in the comparison with other calculations and measurements. Meanwhile, by studying the effects of electron correlations on the energy levels and transition rates of 2s2p<mml:math altimg=\\\"si129.svg\\\" display=\\\"inline\\\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> (<mml:math altimg=\\\"si130.svg\\\" display=\\\"inline\\\"><mml:msup><mml:mrow></mml:mrow><mml:mrow><mml:mn>4</mml:mn></mml:mrow></mml:msup></mml:math>P)3p configuration, it is found that the valence correlations of active space <mml:math altimg=\\\"si5.svg\\\" display=\\\"inline\\\"><mml:mrow><mml:mi>n</mml:mi><mml:mi>l</mml:mi></mml:mrow></mml:math> = {<mml:math altimg=\\\"si3183.svg\\\" display=\\\"inline\\\"><mml:mi>n</mml:mi></mml:math> = 2–7, <mml:math altimg=\\\"si235.svg\\\" display=\\\"inline\\\"><mml:mi>l</mml:mi></mml:math> = s–i} and the core correlations with regard to 1<mml:math altimg=\\\"si8.svg\\\" display=\\\"inline\\\"><mml:msup><mml:mrow><mml:mi>s</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:math> electrons have the strongly adjusted effect and the balancing influence, respectively. 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引用次数: 0

摘要

基于多组态Dirac-Hartree-Fock (MCDHF)方法,在考虑核-核、核-价和价相关效应以及Breit相互作用的情况下,报道了n2离子中内壳激发态2s2p2 (4P)3p的跃迁速率、谱线强度和振子强度等精确的原子光谱数据。在与其他计算和测量的比较中可以发现很好的一致性。同时,通过研究电子相关对2s2p2 (4P)3p构型能级和跃迁速率的影响,发现活性空间nl = {n = 2-7, l = s-i}的价相关和1s2电子的核相关分别具有强调节作用和平衡作用。此外,五重奏过渡2s2p2 (4P)3s - 5P-2s2p2 (4P)3p 5L°(L = P, D)严格遵守选择规则ΔS = 0。在这种情况下,分支分数趋向于1,这是一个特殊的内在性质,被推荐用于诊断五态的寿命或速率。
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Transition rates and electron correlation effects for the 2s2p[formula omitted] ([formula omitted]P)3p configuration in N II
Based on the multiconfiguration Dirac–Hartree–Fock (MCDHF) method, accurate atomic spectra data including the transition rates, line strengths, and oscillator strengths for the inner-shell excited configuration 2s2p2 (4P)3p in N II ion are reported by taking into account the core-core, core-valence and valence correlation effects as well as the Breit interaction. Good accordance can be found in the comparison with other calculations and measurements. Meanwhile, by studying the effects of electron correlations on the energy levels and transition rates of 2s2p2 (4P)3p configuration, it is found that the valence correlations of active space nl = {n = 2–7, l = s–i} and the core correlations with regard to 1s2 electrons have the strongly adjusted effect and the balancing influence, respectively. Furthermore, the quintet transitions 2s2p2 (4P)3s 5P–2s2p2 (4P)3p 5L (L = P, D) are found to strictly obey the selection rule ΔS = 0. The branching fractions under this case tend to 1, which is a peculiarly intrinsic property that is recommended to diagnose the lifetimes or rates of quintet states.
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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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