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Chin. Phys. B, 2025, Vol. 34(4): 043401    DOI: 10.1088/1674-1056/adb273
ATOMIC AND MOLECULAR PHYSICS Prev   Next  

Electron momentum spectroscopy study on trifluorobromomethane: Electronic structure and electron correlation

Guangqing Chen(陈广庆), Shanshan Niu(牛珊珊), Yaguo Tang(唐亚国), Yuting Zhang(张雨亭), Zhaohui Liu(刘朝辉), Chunkai Xu(徐春凯), Enliang Wang(王恩亮), Xu Shan(单旭)†, and Xiangjun Chen(陈向军)
Hefei National Research Center for Physical Sciences at the Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China
Abstract  We present a comprehensive electron momentum spectroscopy study on the electronic structure of trifluorobromomethane. The binding energy spectrum and electron momentum profiles of the entire outer-valence orbitals and the first inner-valence orbital along with several shake-up states were measured by using a high-sensitivity (e, 2e) apparatus at an electron impact energy of 1213 eV. Theoretical calculations employing the density functional theory with B3LYP hybrid functional and the symmetry-adapted cluster configuration-interaction method were performed to interpret the experimental results. Important effects of electron correlations in the initial neutral and final ionic states on the electron momentum profiles have been observed.
Keywords:  electron momentum spectroscopy      electronic structure      electron correlation  
Received:  14 January 2025      Revised:  23 January 2025      Accepted manuscript online:  05 February 2025
PACS:  34.80.Gs (Molecular excitation and ionization)  
  31.15.ae (Electronic structure and bonding characteristics)  
  31.15.V- (Electron correlation calculations for atoms, ions and molecules)  
Fund: Project supported by the National Natural Science Foundation of China (Grant No. 12127804).
Corresponding Authors:  Xu Shan     E-mail:  xshan@ustc.edu.cn

Cite this article: 

Guangqing Chen(陈广庆), Shanshan Niu(牛珊珊), Yaguo Tang(唐亚国), Yuting Zhang(张雨亭), Zhaohui Liu(刘朝辉), Chunkai Xu(徐春凯), Enliang Wang(王恩亮), Xu Shan(单旭), and Xiangjun Chen(陈向军) Electron momentum spectroscopy study on trifluorobromomethane: Electronic structure and electron correlation 2025 Chin. Phys. B 34 043401

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