Shiying Jiang, Banglin Deng, Guosheng Zhang, Yunping Wang, Shihui Nie, Xinyi Wang
{"title":"The study of atomic structure parameters for n = 4 - n = 3 transitions in Mg-like ions with 15≤Z≤30","authors":"Shiying Jiang, Banglin Deng, Guosheng Zhang, Yunping Wang, Shihui Nie, Xinyi Wang","doi":"10.1016/j.adt.2024.101648","DOIUrl":null,"url":null,"abstract":"<div><p>Multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods are utilized for theoretical calculations of energy levels, wavelengths, line strengths, absorption oscillator strengths, and transition probabilities in 3s<sup>2</sup>-3s4p, 3s3p-3s4s, 3s3p-3s4d, 3s3p-3p4p, 3s3d-3s4f, 3p<sup>2</sup>-3p4s, 3p<sup>2</sup>-3p4d, and 3p3d-3p4f transitions in Mg-like ions with <span><math><mrow><mn>15</mn><mo>≤</mo><mi>Z</mi><mo>≤</mo><mn>30</mn></mrow></math></span>. The calculations of energies account for Breit interaction and quantum electrodynamics (QED) contributions. The active space approximation is employed for the calculations, and energy converges when the active orbital set is increased to <span><math><mi>n</mi></math></span> = 7. The calculated lowest 78 levels including valence and core–valence correlations in Mg-like ions with Z=15–30 show good agreement with experiment results and other calculations. The relative difference between calculated wavelengths and experiment values exhibits a decreasing trend as the atomic numbers increase, and the difference is better than 1% for a majority of transitions. To evaluate the accuracy of the wave functions and transition parameters, the quantity <span><math><mrow><mi>d</mi><mi>T</mi></mrow></math></span> is analyzed within 0.1 for most strong transitions. The transition probabilities are compared with other theoretical values to analyze with line strength S. Such calculations may provide valuable data for the experimental study of plasma diagnostics and modeling as there are others.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"157 ","pages":"Article 101648"},"PeriodicalIF":2.7000,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Atomic Data and Nuclear Data Tables","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0092640X24000135","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"PHYSICS, ATOMIC, MOLECULAR & CHEMICAL","Score":null,"Total":0}
引用次数: 0
Abstract
Multiconfiguration Dirac–Hartree–Fock (MCDHF) and relativistic configuration interaction (RCI) methods are utilized for theoretical calculations of energy levels, wavelengths, line strengths, absorption oscillator strengths, and transition probabilities in 3s2-3s4p, 3s3p-3s4s, 3s3p-3s4d, 3s3p-3p4p, 3s3d-3s4f, 3p2-3p4s, 3p2-3p4d, and 3p3d-3p4f transitions in Mg-like ions with . The calculations of energies account for Breit interaction and quantum electrodynamics (QED) contributions. The active space approximation is employed for the calculations, and energy converges when the active orbital set is increased to = 7. The calculated lowest 78 levels including valence and core–valence correlations in Mg-like ions with Z=15–30 show good agreement with experiment results and other calculations. The relative difference between calculated wavelengths and experiment values exhibits a decreasing trend as the atomic numbers increase, and the difference is better than 1% for a majority of transitions. To evaluate the accuracy of the wave functions and transition parameters, the quantity is analyzed within 0.1 for most strong transitions. The transition probabilities are compared with other theoretical values to analyze with line strength S. Such calculations may provide valuable data for the experimental study of plasma diagnostics and modeling as there are others.
期刊介绍:
Atomic Data and Nuclear Data Tables presents compilations of experimental and theoretical information in atomic physics, nuclear physics, and closely related fields. The journal is devoted to the publication of tables and graphs of general usefulness to researchers in both basic and applied areas. Extensive ... click here for full Aims & Scope
Atomic Data and Nuclear Data Tables presents compilations of experimental and theoretical information in atomic physics, nuclear physics, and closely related fields. The journal is devoted to the publication of tables and graphs of general usefulness to researchers in both basic and applied areas. Extensive and comprehensive compilations of experimental and theoretical results are featured.