{"title":"钨离子的原子数据和电子撞击电离截面,W LXV","authors":"A.A. El-Maaref , A.E. Elmeshneb , W. Osman","doi":"10.1016/j.elspec.2024.147499","DOIUrl":null,"url":null,"abstract":"<div><div>In the current study, we present a comprehensive investigation of Ne-like tungsten, W LXV. Spectroscopic properties, energies, and transition rates of the configuration list containing 2 s<sup>2</sup>2p<sup>6</sup>, 2 s<sup>2</sup>2p<sup>5</sup>3<em>l</em>, 2 s<sup>2</sup>2p<sup>4</sup>3<em>l</em><sup>2</sup>, 2s2p<sup>6</sup>3<em>l</em>, and 2s2p<sup>5</sup>3<em>l</em>3<em>l´, l</em> = s, p, and d, and <em>l´</em> = <em>p</em> and <em>d</em>, have been computed using the multi-configuration Dirac-Hartree-Fock method (MCDHF) and FAC code. Single and double electron excitations are performed to calculate the atomic data precisely. Also, the correlations from the upper atomic states with the principal quantum number, <span><math><mrow><mi>n</mi><mo>=</mo><mspace></mspace><mn>4</mn><mo>,</mo><mspace></mspace><mn>5</mn><mo>,</mo></mrow></math></span> and <span><math><mn>6</mn></math></span>, are involved in the present calculations. All contributions from the orbitals <span><math><mrow><mi>s</mi><mo>,</mo><mi>p</mi><mo>,</mo><mi>d</mi><mo>,</mo><mi>f</mi><mo>,</mo></mrow></math></span> and <span><math><mi>g</mi></math></span> have also been correlated to configuration interaction (CI) calculations. In addition to CI and upper-level correlations, the quantum-electrodynamics effects have been considered as well. Moreover, the FAC code has been utilized to evaluate the ionization cross-section by electron impact of the present ion. The electron impact (EI) cross-sections of the ionizing states 2 s<sup>2</sup>2p<sup>6</sup> (<sub>1</sub>S<sub>0</sub>) and 2 s<sup>2</sup>2p<sup>5</sup>3 s (<sup>1</sup>P<sub>1</sub>, <sup>3</sup>P<sub>0,1,2</sub>) to 2 s<sup>2</sup>2p<sup>5</sup> (<sup>2</sup>P<sub>3/2</sub>) have been computed, as well as the total cross-sections of previously mentioned states in W LXV for a wide range of collision energies (up to 150 keV). Furthermore, the effect of increasing the principal quantum number (n) and the inclusion of a complete set of configurations on the cross-section values is examined.</div></div>","PeriodicalId":15726,"journal":{"name":"Journal of Electron Spectroscopy and Related Phenomena","volume":"277 ","pages":"Article 147499"},"PeriodicalIF":1.8000,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Atomic data, and ionization cross-sections by electron impact of tungsten ions, W LXV\",\"authors\":\"A.A. El-Maaref , A.E. Elmeshneb , W. Osman\",\"doi\":\"10.1016/j.elspec.2024.147499\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In the current study, we present a comprehensive investigation of Ne-like tungsten, W LXV. Spectroscopic properties, energies, and transition rates of the configuration list containing 2 s<sup>2</sup>2p<sup>6</sup>, 2 s<sup>2</sup>2p<sup>5</sup>3<em>l</em>, 2 s<sup>2</sup>2p<sup>4</sup>3<em>l</em><sup>2</sup>, 2s2p<sup>6</sup>3<em>l</em>, and 2s2p<sup>5</sup>3<em>l</em>3<em>l´, l</em> = s, p, and d, and <em>l´</em> = <em>p</em> and <em>d</em>, have been computed using the multi-configuration Dirac-Hartree-Fock method (MCDHF) and FAC code. Single and double electron excitations are performed to calculate the atomic data precisely. Also, the correlations from the upper atomic states with the principal quantum number, <span><math><mrow><mi>n</mi><mo>=</mo><mspace></mspace><mn>4</mn><mo>,</mo><mspace></mspace><mn>5</mn><mo>,</mo></mrow></math></span> and <span><math><mn>6</mn></math></span>, are involved in the present calculations. All contributions from the orbitals <span><math><mrow><mi>s</mi><mo>,</mo><mi>p</mi><mo>,</mo><mi>d</mi><mo>,</mo><mi>f</mi><mo>,</mo></mrow></math></span> and <span><math><mi>g</mi></math></span> have also been correlated to configuration interaction (CI) calculations. In addition to CI and upper-level correlations, the quantum-electrodynamics effects have been considered as well. Moreover, the FAC code has been utilized to evaluate the ionization cross-section by electron impact of the present ion. The electron impact (EI) cross-sections of the ionizing states 2 s<sup>2</sup>2p<sup>6</sup> (<sub>1</sub>S<sub>0</sub>) and 2 s<sup>2</sup>2p<sup>5</sup>3 s (<sup>1</sup>P<sub>1</sub>, <sup>3</sup>P<sub>0,1,2</sub>) to 2 s<sup>2</sup>2p<sup>5</sup> (<sup>2</sup>P<sub>3/2</sub>) have been computed, as well as the total cross-sections of previously mentioned states in W LXV for a wide range of collision energies (up to 150 keV). Furthermore, the effect of increasing the principal quantum number (n) and the inclusion of a complete set of configurations on the cross-section values is examined.</div></div>\",\"PeriodicalId\":15726,\"journal\":{\"name\":\"Journal of Electron Spectroscopy and Related Phenomena\",\"volume\":\"277 \",\"pages\":\"Article 147499\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2024-11-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Electron Spectroscopy and Related Phenomena\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0368204824000823\",\"RegionNum\":4,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Electron Spectroscopy and Related Phenomena","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0368204824000823","RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
引用次数: 0
摘要
在本研究中,我们对类氖钨 W LXV 进行了全面研究。我们使用多构型狄拉克-哈特里-福克方法(MCDHF)和 FAC 代码计算了包含 2 s22p6、2 s22p53l、2 s22p43l2、2s2p63l 和 2s2p53l3l´(l = s、p 和 d,l´ = p 和 d)的构型表的光谱特性、能量和转变率。为了精确计算原子数据,还进行了单电子和双电子激发。此外,本计算还涉及主量子数 n=4、5 和 6 的上原子态的相关性。来自 s、p、d、f 和 g 轨道的所有贡献也都与构型相互作用(CI)计算相关联。除了 CI 和高层相关之外,量子电动力学效应也被考虑在内。此外,还利用 FAC 代码评估了本离子的电子撞击电离截面。计算了电离状态 2 s22p6 (1S0) 和 2 s22p53 s (1P1, 3P0,1,2) 到 2 s22p5 (2P3/2) 的电子撞击(EI)截面,以及 W LXV 中前面提到的状态在宽碰撞能量范围(高达 150 keV)内的总截面。此外,还研究了增加主量子数(n)和包含全套构型对截面值的影响。
Atomic data, and ionization cross-sections by electron impact of tungsten ions, W LXV
In the current study, we present a comprehensive investigation of Ne-like tungsten, W LXV. Spectroscopic properties, energies, and transition rates of the configuration list containing 2 s22p6, 2 s22p53l, 2 s22p43l2, 2s2p63l, and 2s2p53l3l´, l = s, p, and d, and l´ = p and d, have been computed using the multi-configuration Dirac-Hartree-Fock method (MCDHF) and FAC code. Single and double electron excitations are performed to calculate the atomic data precisely. Also, the correlations from the upper atomic states with the principal quantum number, and , are involved in the present calculations. All contributions from the orbitals and have also been correlated to configuration interaction (CI) calculations. In addition to CI and upper-level correlations, the quantum-electrodynamics effects have been considered as well. Moreover, the FAC code has been utilized to evaluate the ionization cross-section by electron impact of the present ion. The electron impact (EI) cross-sections of the ionizing states 2 s22p6 (1S0) and 2 s22p53 s (1P1, 3P0,1,2) to 2 s22p5 (2P3/2) have been computed, as well as the total cross-sections of previously mentioned states in W LXV for a wide range of collision energies (up to 150 keV). Furthermore, the effect of increasing the principal quantum number (n) and the inclusion of a complete set of configurations on the cross-section values is examined.
期刊介绍:
The Journal of Electron Spectroscopy and Related Phenomena publishes experimental, theoretical and applied work in the field of electron spectroscopy and electronic structure, involving techniques which use high energy photons (>10 eV) or electrons as probes or detected particles in the investigation.