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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 PublicationEPL
ISSN0295-5075
Volume107Issue:3
AbstractThe 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
KeywordNegative-ions 1st-row Atoms
Indexed BySCI
Language英语
WOS IDWOS:000340780100009
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Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14239
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorzhangxm@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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