Theoretical study of (e, 2e) triple differential cross section of 1b3g orbital of ethylene by vibrational multi-center distorted-wave method

doi:10.1088/1674-1056/acec45

中国物理B ›› 2023, Vol. 32 ›› Issue (11): 110205-110205.doi: 10.1088/1674-1056/acec45

Theoretical study of (e, 2e) triple differential cross section of 1b_3g 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

收稿日期:2023-06-18 修回日期:2023-07-24 接受日期:2023-08-01 出版日期:2023-10-16 发布日期:2023-10-26
通讯作者: Maomao Gong, Xiangjun Chen E-mail:gongmm@ustc.edu.cn;xjun@ustc.edu.cn
基金资助:
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).

Theoretical study of (e, 2e) triple differential cross section of 1b_3g 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

Received:2023-06-18 Revised:2023-07-24 Accepted:2023-08-01 Online:2023-10-16 Published:2023-10-26
Contact: Maomao Gong, Xiangjun Chen E-mail:gongmm@ustc.edu.cn;xjun@ustc.edu.cn
Supported by:
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).

摘要/Abstract

摘要： 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 1b_3g 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.

关键词: (e,2e), multi-center distorted-wave method (MCDW), vibrational effect

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 1b_3g 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.

Key words: (e,2e), multi-center distorted-wave method (MCDW), vibrational effect

中图分类号: (Computational techniques; simulations)

02.70.-c

03.65.-w (Quantum mechanics) 03.65.Nk (Scattering theory)

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 1b_3g orbital of ethylene by vibrational multi-center distorted-wave method[J]. 中国物理B, 2023, 32(11): 110205-110205.

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Theoretical study of (e, 2e) triple differential cross section of 1b_3g orbital of ethylene by vibrational multi-center distorted-wave method

Theoretical study of (e, 2e) triple differential cross section of 1b_3g orbital of ethylene by vibrational multi-center distorted-wave method

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