分子体系电子动量谱学中扭曲波效应的理论研究
结题报告
批准号:
12004370
项目类别:
青年科学基金项目
资助金额:
24.0 万元
负责人:
宫毛毛
依托单位:
学科分类:
原子分子结构、碰撞与谱学
结题年份:
2023
批准年份:
2020
项目状态:
已结题
项目参与者:
宫毛毛
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中文摘要
电子动量谱学是一种重要的原子分子轨道成像技术,已经得到了广泛的实验和理论研究。这种实验技术是基于电子与原子分子碰撞的单电离过程,即(e,2e)过程,以平面波冲量近似为基础,认为入射电子与原子分子轨道电子是纯粹的两体碰撞。但是实际上平面波冲量近似不可能完全满足,电子碰撞过程中或多或少存在碰撞的动力学效应。其中扭曲波效应就是其中非常重要的一种。目前对于电子动量谱中原子的扭曲波效应已经得到了很好的研究。但是对于分子靶(有多中心特征,电子结构更加复杂),理论上还很难描述。. 我们实验室近年来发展的多中心三扭曲波方法是一种能够计入分子多中心特征的(e,2e)截面计算方法。由于程序计算量以及程序效率问题,目前仅仅适用于低能电子碰撞的(e,2e)截面计算。我们希望通过进一步的努力将这种理论计算方法拓展到高能,进而解决电子动量谱中存在的分子扭曲波问题。
英文摘要
Electron momentum spectroscopy is an important imaging technique of atomic and molecular orbits, which has been widely studied in experiments and theories. This experimental technique is based on the single ionization process in which the projectile electron collide with atoms and molecules. Based on the plane wave impulse approximation (PWIA), it is considered that the incident electrons collide with the orbital electrons of atoms and molecules purely. But in fact, the PWIA can not be satisfied completely. There are more or less collision dynamics effects in the process of electron collision. Among them, the distorted wave effect is one of the most important. At present, the distorted wave effect of atoms in the electron momentum spectrum has been well studied. However, it is difficult to describe the molecular target (the molecule possesses multicenter nature and the complex electronic structure) theoretically.. In recent years, the multicenter three distorted wave method developed in our laboratory is a (e, 2e) cross-section calculation method which can take into account the multicenter characteristics of molecules. Due to the computational complexity and efficiency of the program, it is only suitable for the (e, 2e) cross section calculation of low energy electron collisions. We hope to extend the theoretical calculation method to high energy by further efforts, so as to solve the molecular distorted wave problem in the electron momentum spectrum.
期刊论文列表
专著列表
科研奖励列表
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专利列表
DOI:10.1016/j.elspec.2021.147059
发表时间:2021-03
期刊:Journal of Electron Spectroscopy and Related Phenomena
影响因子:1.9
作者:Zhenpeng Wang;Maomao Gong;Xingyu Li;S. Zhang;Xiangjun Chen
通讯作者:Zhenpeng Wang;Maomao Gong;Xingyu Li;S. Zhang;Xiangjun Chen
DOI:10.1103/physreva.106.042803
发表时间:2022-10
期刊:Physical Review A
影响因子:2.9
作者:Xiaorui Xue;D. M. Mootheril;E. Ali;Maomao Gong;Shaokui Jia;Jiaqi Zhou;Enliang Wang;Jian-Xing Li;Xiangjun Chen;D. Madison;A. Dorn;X. Ren
通讯作者:Xiaorui Xue;D. M. Mootheril;E. Ali;Maomao Gong;Shaokui Jia;Jiaqi Zhou;Enliang Wang;Jian-Xing Li;Xiangjun Chen;D. Madison;A. Dorn;X. Ren
DOI:10.1088/1674-1056/ac21c3
发表时间:2022
期刊:Chinese Physics. B
影响因子:--
作者:Wang Yiao;Wang Zhenpeng;Gong Maomao;Xu Chunkai;Chen Xiangjun
通讯作者:Chen Xiangjun
DOI:10.1021/acs.jpca.2c09072
发表时间:2023-02-09
期刊:JOURNAL OF PHYSICAL CHEMISTRY A
影响因子:2.9
作者:Zhang,Yuting;Gong,Maomao;Chen,Xiangjun
通讯作者:Chen,Xiangjun
DOI:10.1103/physreva.106.012818
发表时间:2022
期刊:Physical Review A
影响因子:2.9
作者:Maomao Gong;Y. Cheng;S. Zhang;Xiangjun Chen
通讯作者:Xiangjun Chen
国内基金
海外基金