MCDHF calculation of electron affinities of Group I and Group IB atomic anions | |
Li, Junqin1,2,3; Zhao, Zilong1,2; Zhang, Xuemei1,2 | |
刊名 | EPL
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2014-08-01 | |
卷号 | 107 |
ISSN号 | 0295-5075 |
DOI | 10.1209/0295-5075/107/33001 |
文献子类 | Article |
英文摘要 | The affinities of negative ions for elements of Group I and Group IB have been calculated using the multi-configuration Dirac-Hartree-Fock (MCDHF) method. The difference between the total energy of the ground state of the atom and that of its anion is used to obtain the electron affinity. The theoretical results for these elements agree well with measured values, and have a deviation less than 0.5% with respect to measured values for most of the elements. With a systematic calculation method, this work gives a high-accuracy theoretical value for the electron affinities of the elements of Group I and Group IB. For element Fr, there is no experimental value. Copyright (C) EPLA, 2014 |
WOS关键词 | NEGATIVE-IONS ; 1ST-ROW ATOMS |
语种 | 英语 |
出版者 | EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY |
WOS记录号 | WOS:000340780100009 |
内容类型 | 期刊论文 |
源URL | [http://119.78.100.186/handle/113462/49273] ![]() |
专题 | 中国科学院近代物理研究所 |
通讯作者 | Li, Junqin |
作者单位 | 1.Fudan Univ, Inst Modern Phys, Shanghai 200433, Peoples R China 2.Fudan Univ, Minist Educ, Appl Ion Beam Phys Lab, Key Lab, Shanghai 200433, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201204, Peoples R China |
推荐引用方式 GB/T 7714 | Li, Junqin,Zhao, Zilong,Zhang, Xuemei. MCDHF calculation of electron affinities of Group I and Group IB atomic anions[J]. EPL,2014,107. |
APA | Li, Junqin,Zhao, Zilong,&Zhang, Xuemei.(2014).MCDHF calculation of electron affinities of Group I and Group IB atomic anions.EPL,107. |
MLA | Li, Junqin,et al."MCDHF calculation of electron affinities of Group I and Group IB atomic anions".EPL 107(2014). |
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