{"title":"钕离子 Nd I 至 Nd59+ 的总能量、电离能和单电子结合能的相对论计算</mml","authors":"F.F. Goryaev , I.I. Tupitsyn","doi":"10.1016/j.adt.2024.101673","DOIUrl":null,"url":null,"abstract":"<div><p><span>We present the results of calculations for the total energies, ionization energies, and one-electron binding energies for ground-state configurations of neodymium ions Nd I to Nd</span><span><math><msup><mrow></mrow><mrow><mn>59</mn><mo>+</mo></mrow></msup></math></span><span>. These calculations are based on the Dirac–Fock approximation taking the Breit and quantum electrodynamics corrections into account. The configuration interaction method, taking into account all relativistic configurations corresponding to the non-relativistic one, is used to obtain total energies and wave functions in the intermediate coupling scheme. Comparison is given with other available data.</span></p></div>","PeriodicalId":55580,"journal":{"name":"Atomic Data and Nuclear Data Tables","volume":"160 ","pages":"Article 101673"},"PeriodicalIF":2.7000,"publicationDate":"2024-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Relativistic calculations for total energies, ionization energies, and one-electron binding energies for Neodymium ions Nd I to Nd59+\",\"authors\":\"F.F. Goryaev , I.I. Tupitsyn\",\"doi\":\"10.1016/j.adt.2024.101673\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p><span>We present the results of calculations for the total energies, ionization energies, and one-electron binding energies for ground-state configurations of neodymium ions Nd I to Nd</span><span><math><msup><mrow></mrow><mrow><mn>59</mn><mo>+</mo></mrow></msup></math></span><span>. These calculations are based on the Dirac–Fock approximation taking the Breit and quantum electrodynamics corrections into account. The configuration interaction method, taking into account all relativistic configurations corresponding to the non-relativistic one, is used to obtain total energies and wave functions in the intermediate coupling scheme. Comparison is given with other available data.</span></p></div>\",\"PeriodicalId\":55580,\"journal\":{\"name\":\"Atomic Data and Nuclear Data Tables\",\"volume\":\"160 \",\"pages\":\"Article 101673\"},\"PeriodicalIF\":2.7000,\"publicationDate\":\"2024-07-14\",\"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/S0092640X2400038X\",\"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/S0092640X2400038X","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
我们介绍了钕离子 Nd I 至 Nd59+ 基态构型的总能量、电离能和单电子结合能的计算结果。这些计算基于狄拉克-福克近似,并考虑了布雷特和量子电动力学修正。在中间耦合方案中,采用了构型相互作用方法,考虑了与非相对论构型相对应的所有相对论构型,从而获得了总能量和波函数。并与其他可用数据进行了比较。
Relativistic calculations for total energies, ionization energies, and one-electron binding energies for Neodymium ions Nd I to Nd59+
We present the results of calculations for the total energies, ionization energies, and one-electron binding energies for ground-state configurations of neodymium ions Nd I to Nd. These calculations are based on the Dirac–Fock approximation taking the Breit and quantum electrodynamics corrections into account. The configuration interaction method, taking into account all relativistic configurations corresponding to the non-relativistic one, is used to obtain total energies and wave functions in the intermediate coupling scheme. Comparison is given with other available data.
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.