{"title":"类Sb序列Sb I、Te II、iiii、Xe IV、Cs V的理论研究","authors":"L. Radžiūtė, G. Gaigalas","doi":"10.1016/j.adt.2023.101585","DOIUrl":null,"url":null,"abstract":"<div><p>We aim to investigate atomic properties of Sb-like sequence: Sb I, Te II, I III, Xe IV, and Cs V. The multiconfiguration Dirac–Hartree–Fock and relativistic configuration interaction methods, which are implemented in the general-purpose relativistic atomic structure package GRASP2018, are used in the present work. The lowest energy levels of the <span><math><mrow><mn>5</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>3</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>5</mn><mi>s</mi><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>4</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>5</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>5</mn><mi>s</mi><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>3</mn></mrow></msup><mn>5</mn><mi>d</mi></mrow></math></span>, and <span><math><mrow><mn>5</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>2</mn></mrow></msup><mrow><mo>{</mo><mn>6</mn><mi>s</mi><mo>,</mo><mn>7</mn><mi>s</mi><mo>,</mo><mn>6</mn><mi>p</mi><mo>,</mo><mn>7</mn><mi>p</mi><mo>,</mo><mn>5</mn><mi>d</mi><mo>,</mo><mn>6</mn><mi>d</mi><mo>,</mo><mn>4</mn><mi>f</mi><mo>}</mo></mrow></mrow></math></span> configurations and electric dipole, magnetic dipole, and electric quadrupole transitions between states of these configurations are computed. Accuracy of energy levels are evaluated by comparing it with the National Institute of Standards and Technology Atomic Spectra Database recommended values and with other methods. Accuracy of transitions data are investigated using quantitative and qualitative evaluation method.</p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"152 ","pages":"Article 101585"},"PeriodicalIF":2.7000,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Theoretical investigation of Sb-like sequence: Sb I, Te II, I III, Xe IV, and Cs V\",\"authors\":\"L. Radžiūtė, G. Gaigalas\",\"doi\":\"10.1016/j.adt.2023.101585\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>We aim to investigate atomic properties of Sb-like sequence: Sb I, Te II, I III, Xe IV, and Cs V. The multiconfiguration Dirac–Hartree–Fock and relativistic configuration interaction methods, which are implemented in the general-purpose relativistic atomic structure package GRASP2018, are used in the present work. The lowest energy levels of the <span><math><mrow><mn>5</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>3</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>5</mn><mi>s</mi><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>4</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>5</mn></mrow></msup></mrow></math></span>, <span><math><mrow><mn>5</mn><mi>s</mi><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>3</mn></mrow></msup><mn>5</mn><mi>d</mi></mrow></math></span>, and <span><math><mrow><mn>5</mn><msup><mrow><mi>s</mi></mrow><mrow><mn>2</mn></mrow></msup><mn>5</mn><msup><mrow><mi>p</mi></mrow><mrow><mn>2</mn></mrow></msup><mrow><mo>{</mo><mn>6</mn><mi>s</mi><mo>,</mo><mn>7</mn><mi>s</mi><mo>,</mo><mn>6</mn><mi>p</mi><mo>,</mo><mn>7</mn><mi>p</mi><mo>,</mo><mn>5</mn><mi>d</mi><mo>,</mo><mn>6</mn><mi>d</mi><mo>,</mo><mn>4</mn><mi>f</mi><mo>}</mo></mrow></mrow></math></span> configurations and electric dipole, magnetic dipole, and electric quadrupole transitions between states of these configurations are computed. Accuracy of energy levels are evaluated by comparing it with the National Institute of Standards and Technology Atomic Spectra Database recommended values and with other methods. Accuracy of transitions data are investigated using quantitative and qualitative evaluation method.</p></div>\",\"PeriodicalId\":55580,\"journal\":{\"name\":\"Atomic Data and Nuclear Data Tables\",\"volume\":\"152 \",\"pages\":\"Article 101585\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2023-07-01\",\"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/S0092640X2300013X\",\"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}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Atomic Data and Nuclear Data Tables","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0092640X2300013X","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
摘要
我们的目标是研究类Sb序列:Sb I, Te II, I III, Xe IV和Cs v的原子性质。本研究使用了通用相对论原子结构包GRASP2018中实现的多组态Dirac-Hartree-Fock和相对论组态相互作用方法。计算了5s25p3、555p4、5p5、555p35d和5s25p2{6s、7s、6p、7p、5d、6d、4f}构型的最低能级,以及这些构型状态之间的电偶极子、磁偶极子和电四极子跃迁。通过与美国国家标准与技术研究所原子光谱数据库推荐值和其他方法进行比较,评估能级的准确性。采用定量和定性评价相结合的方法对转换数据的准确性进行了研究。
Theoretical investigation of Sb-like sequence: Sb I, Te II, I III, Xe IV, and Cs V
We aim to investigate atomic properties of Sb-like sequence: Sb I, Te II, I III, Xe IV, and Cs V. The multiconfiguration Dirac–Hartree–Fock and relativistic configuration interaction methods, which are implemented in the general-purpose relativistic atomic structure package GRASP2018, are used in the present work. The lowest energy levels of the , , , , and configurations and electric dipole, magnetic dipole, and electric quadrupole transitions between states of these configurations are computed. Accuracy of energy levels are evaluated by comparing it with the National Institute of Standards and Technology Atomic Spectra Database recommended values and with other methods. Accuracy of transitions data are investigated using quantitative and qualitative evaluation method.
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.