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Theoretical study of (e, 2e) triple differential cross section of 1b3g orbital of ethylene by vibrational multi-center distorted-wave method |
| Zhenpeng Wang(王振鹏)1, Maomao Gong(宫毛毛)1,3,†, Xingyu Li(李星宇)1, Songbin Zhang(张松斌)3, and Xiangjun Chen(陈向军)1,2,‡ |
1 Hefei National Research Center for Physical Sciences at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China;
2 Hefei National Laboratory, University of Science and Technology of China, Hefei 230088, China;
3 School of Physics and Information Technology, Shaanxi Normal University, Xi'an 710119, China |
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Abstract The vibrational motions are usually neglected when calculating (e,2e) triple differential cross sections (TDCSs) of molecules. Here, multi-center distorted-wave method (MCDW) has been modified by including molecular vibrations. This vibrational MCDW method is employed to calculate the TDCSs of 1b3g orbital of ethylene at low (100 eV) and medium (250 eV) incident electron energies in coplanar asymmetric kinematic condition. The results show that molecular vibrations significantly influence the angular distributions of the TDCSs, especially in the binary region along momentum transfer near the Bethe ridge.
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Received: 18 June 2023
Revised: 24 July 2023
Accepted manuscript online: 01 August 2023
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PACS:
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02.70.-c
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(Computational techniques; simulations)
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03.65.-w
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(Quantum mechanics)
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03.65.Nk
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(Scattering theory)
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| Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 12004370 and 12127804) and the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB34020000). |
Corresponding Authors:
Maomao Gong, Xiangjun Chen
E-mail: gongmm@ustc.edu.cn;xjun@ustc.edu.cn
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Cite this article:
Zhenpeng Wang(王振鹏), Maomao Gong(宫毛毛), Xingyu Li(李星宇), Songbin Zhang(张松斌), and Xiangjun Chen(陈向军) Theoretical study of (e, 2e) triple differential cross section of 1b3g orbital of ethylene by vibrational multi-center distorted-wave method 2023 Chin. Phys. B 32 110205
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