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

作者：Wang, F.^*; Xu, X. C.; Hong, X. H.; Wang, J.; Gou, B. C.

来源：Physics Letters, Section A: General, Atomic and Solid State Physics , 2011, 375(37): 3290-3295.

DOI：10.1016/j.physleta.2011.07.032

• Collision
• Electron transfer
• Time-dependent density functional theory

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.

• 出版日期2011-8-29
• 单位北京理工大学