| ATOMIC AND MOLECULAR PHYSICS |
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Interesting Features of Ionization Potentials for Elements ($Z\le 119$) along the Periodic Table |
| Chun Gu1, Rui Jin2,3, De-Ling Zeng1,2, Xian-Fang Yue2,4, Xiang Gao2,3**, Jia-Ming Li1,3,5 |
1Key Laboratory for Laser Plasmas (Ministry of Education) and Department of Physics and Astronomy, Shanghai Jiao Tong University, Shanghai 200240
2Beijing Computational Science Research Center, Beijing 100094
3Department of Physics and Center for Atomic and Molecular Nanosciences, Tsinghua University, Beijing 100084
4Department of Physics and Information Engineering, Jining University, Qufu 273155
5Collaborative Innovation Center of Quantum Matter, Beijing 100084
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| Cite this article: |
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Chun Gu, Rui Jin, De-Ling Zeng et al 2016 Chin. Phys. Lett. 33 043201 |
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Abstract The ionization potential (IP) is a basic property of an atom, which has many applications such as in element analysis. With the Dirac–Slater methods (i.e., mean field theory), IPs of all occupied orbitals for elements with atomic number ($Z\le 119$) are calculated conveniently and systematically. Compared with available experimental measurements, the theoretical accuracies of IPs for various occupied orbitals are ascertained. The map of the inner orbital IPs with good accuracies should be useful to select x-ray energies for element analysis. Based on systematic variations of the first IPs for the outermost orbitals in good agreement with experimental values as well as other IPs, mechanisms of electronic configurations of all atomic elements ($Z\le 119$) along the periodic table are elucidated. It is interesting to note that there exist some deficiencies of the intermediate orbital IPs, which are due to electron correlations and should be treated beyond the mean field theory.
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Received: 01 January 2016
Published: 29 April 2016
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| PACS: |
32.10.Hq
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(Ionization potentials, electron affinities)
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31.15.A-
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(Ab initio calculations)
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31.15.xr
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(Self-consistent-field methods)
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