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