Selection rules for electric multipole transition of triatomic molecule in scattering experiments

doi:10.1088/1674-1056/27/4/043101

中国物理B ›› 2018, Vol. 27 ›› Issue (4): 43101-043101.doi: 10.1088/1674-1056/27/4/043101

• ATOMIC AND MOLECULAR PHYSICS • 上一篇下一篇

Selection rules for electric multipole transition of triatomic molecule in scattering experiments

Hong-Chun Tian(田红春), Long-Quan Xu(徐龙泉), Lin-Fan Zhu(朱林繁)

1. Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China;
2. Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China

收稿日期:2018-01-08 修回日期:2018-01-18 出版日期:2018-04-05 发布日期:2018-04-05
通讯作者: Lin-Fan Zhu E-mail:lfzhu@ustc.edu.cn
基金资助:
Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0402300), the National Natural Science Foundation of China (Grant No. U1732133), and the Science Fund from Chinese Academy of Sciences (Grant No. 11320101003).

Selection rules for electric multipole transition of triatomic molecule in scattering experiments

Hong-Chun Tian(田红春)^1,2, Long-Quan Xu(徐龙泉)^1,2, Lin-Fan Zhu(朱林繁)^1,2

1. Hefei National Laboratory for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China;
2. Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026, China

Received:2018-01-08 Revised:2018-01-18 Online:2018-04-05 Published:2018-04-05
Contact: Lin-Fan Zhu E-mail:lfzhu@ustc.edu.cn
Supported by:
Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0402300), the National Natural Science Foundation of China (Grant No. U1732133), and the Science Fund from Chinese Academy of Sciences (Grant No. 11320101003).

摘要/Abstract

摘要： In the electron or x-ray scattering experiment, the measured spectra at larger momentum transfer are dominated by the electric dipole-forbidden transitions, while the corresponding selection rules for triatomic molecules have not been clearly elucidated. In this work, based on the molecular point group, the selection rules for the electric multipolarities of the electronic transitions of triatomic molecules are derived and summarized into several tables with the variation of molecular geometry in the transition process being considered. Based on the summarized selection rules, the electron energy loss spectra of H₂O, CO₂, and N₂O are identified, and the momentum transfer dependence behaviors of their valence-shell excitations are explained.

关键词: electric multipole transition, selection rule, molecular point group, electron scattering

Abstract: In the electron or x-ray scattering experiment, the measured spectra at larger momentum transfer are dominated by the electric dipole-forbidden transitions, while the corresponding selection rules for triatomic molecules have not been clearly elucidated. In this work, based on the molecular point group, the selection rules for the electric multipolarities of the electronic transitions of triatomic molecules are derived and summarized into several tables with the variation of molecular geometry in the transition process being considered. Based on the summarized selection rules, the electron energy loss spectra of H₂O, CO₂, and N₂O are identified, and the momentum transfer dependence behaviors of their valence-shell excitations are explained.

Key words: electric multipole transition, selection rule, molecular point group, electron scattering

中图分类号: (Theory of electronic structure, electronic transitions, and chemical binding)

31.10.+z

34.50.-s (Scattering of atoms and molecules) 31.15.xh (Group-theoretical methods)

田红春, 徐龙泉, 朱林繁. Selection rules for electric multipole transition of triatomic molecule in scattering experiments[J]. 中国物理B, 2018, 27(4): 43101-043101.

Hong-Chun Tian(田红春), Long-Quan Xu(徐龙泉), Lin-Fan Zhu(朱林繁). Selection rules for electric multipole transition of triatomic molecule in scattering experiments[J]. Chin. Phys. B, 2018, 27(4): 43101-043101.

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Selection rules for electric multipole transition of triatomic molecule in scattering experiments

Selection rules for electric multipole transition of triatomic molecule in scattering experiments

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