A theoretical model for electron transfer in ion-atom collisions: Calculations for the collision of a proton with an argon atom

F. Wang*, X. C. Xu, X. H. Hong, J. Wang, B. C. Gou

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

27 引用 (Scopus)

摘要

We have developed a theoretical model of ion-atom collisions based on the time-dependent density-functional theory. We solve the time-dependent Kohn-Sham equation for electrons employing the real-space and real-time method, while the ion dynamics are described in classical mechanics by the Ehrenfest method. Taking advantage of the real-space grid method, we introduce the "coordinate space translation" technique to allow one to focus on a certain space of interest. Benchmark calculations are given for collisions between proton and argon over a wide range of impact energy. Electron transfer total cross sections showed a fairly good agreement with available experimental data.

源语言英语
页(从-至)3290-3295
页数6
期刊Physics Letters, Section A: General, Atomic and Solid State Physics
375
37
DOI
出版状态已出版 - 29 8月 2011

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