A Time-Dependent-Density-Functional-Theory Study of Charge Transfer Processes of Li$^{2+}$ Colliding with Ar in the MeV Region
Hui-Hui Zhang1, Wan-Dong Yu2*, Cong-Zhang Gao3*, and Yi-Zhi Qu1*
1School of Optoelectronics, University of Chinese Academy of Sciences, Beijing 100049, China 2State Key Laboratory for Mesoscopic Physics and Frontiers Science Center for Nano-optoelectronics, School of Physics, Peking University, Beijing 100871, China 3Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
Abstract：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 MeV energies.
(General theories and models of atomic and molecular collisions and interactions (including statistical theories, transition state, stochastic and trajectory models, etc.))
(Other topics in atomic and molecular collision processes and interactions)
引用本文:
. [J]. 中国物理快报, 2023, 40(4): 43101-.
Hui-Hui Zhang, Wan-Dong Yu, Cong-Zhang Gao, and Yi-Zhi Qu. A Time-Dependent-Density-Functional-Theory Study of Charge Transfer Processes of Li$^{2+}$ Colliding with Ar in the MeV Region. Chin. Phys. Lett., 2023, 40(4): 43101-.
2023, Vol. 40 
