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.
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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