A Time-Dependent-Density-Functional-Theory Study of Charge Transfer Processes of Li^(2+) Colliding with Ar in the MeV Region  

作　　者：张会会 于皖东 高聪章 屈一至 Hui-Hui Zhang;Wan-Dong Yu;Cong-Zhang Gao;Yi-Zhi Qu(School of Optoelectronics,University of Chinese Academy of Sciences,Beijing 100049,China;State Key Laboratory for Mesoscopic Physics and Frontiers Science Center for Nano-optoelectronics,School of Physics,Peking University,Beijing 100871,China;Institute of Applied Physics and Computational Mathematics,Beijing 100088,China)

机构地区：[1]School of Optoelectronics,University of Chinese Academy of Sciences,Beijing 100049,China [2]State Key Laboratory for Mesoscopic Physics and Frontiers Science Center for Nano-optoelectronics,School of Physics,Peking University,Beijing 100871,China [3]Institute of Applied Physics and Computational Mathematics,Beijing 100088,China

出　　处：《Chinese Physics Letters》2023年第4期23-27,共5页中国物理快报（英文版）

基　　金：financially supported by the National Key Research and Development Program of China (Grant No.2017YFA0402300);the National Natural Science Foundation of China (Grant Nos.11774344,11704039,and 12104019)。

摘　　要：We study charge transfer of a multi-electron collision system Li^(2+)+ Ar using the time-dependent density functional theory non-adiabatically coupled to the molecular dynamics.By implementing the particle number projection method,the single-and double-charge transfer cross sections are extracted at MeV energies,which are in good agreement with the experimental data available.The analysis of charge transfer probabilities shows that for energies higher than 1.0 MeV,the single-charge transfer occurs for a broader range of impact parameters,while the double-charge transfer is dominated by close collisions.To gain the population of captured electrons on the projectile,we compute the orbital projection probabilities.It is found that the electrons of the Ar atom will most possibly transfer to the 2p orbitals of the Li^(2+),and only a small portion of captured electrons distribute on the s orbitals.This work verifies the capability of the present methodology in dealing with charge transfer in dressed ion collisions at Me V energies.

关 键 词：dynamics CHARGE PROJECTION 

分 类 号：O561[理学—原子与分子物理]