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| MCDHF calculation of electron affinities of Group I and Group IB atomic anions | |
| Li, JQ; Zhao, ZL; Zhang, XM; zhangxm@fudan.edu.cn | |
| 2014 | |
| Source Publication | EPL
 |
| ISSN | 0295-5075 |
| Volume | 107Issue:3 |
| Abstract | 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 |
| Keyword | Negative-ions 1st-row Atoms |
| Indexed By | SCI |
| Language | 英语 |
| WOS ID | WOS:000340780100009 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/14239 |
| Collection | 中科院上海应用物理研究所2011-2019年 |
| Corresponding Author | zhangxm@fudan.edu.cn |
| Recommended Citation GB/T 7714 | Li, JQ,Zhao, ZL,Zhang, XM,et al. MCDHF calculation of electron affinities of Group I and Group IB atomic anions[J]. EPL,2014,107(3). |
| APA | Li, JQ,Zhao, ZL,Zhang, XM,&zhangxm@fudan.edu.cn.(2014).MCDHF calculation of electron affinities of Group I and Group IB atomic anions.EPL,107(3). |
| MLA | Li, JQ,et al."MCDHF calculation of electron affinities of Group I and Group IB atomic anions".EPL 107.3(2014). |
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| MCDHF calculation of（138KB） | 开放获取 | CC BY-NC-SA | View Download | |||
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