Coordinate space translation technique for simulation of electronic process in the ion-atom collision
SCIE
SCOPUS
- Title
- Coordinate space translation technique for simulation of electronic process in the ion-atom collision
- Authors
- Wang, F; Hong, XH; Wang, J; Kim, KS
- Date Issued
- 2011-04-21
- Publisher
- AMER INST PHYSICS
- Abstract
- Recently we developed a theoretical model of ion-atom collisions, which was made on the basis of a time-dependent density functional theory description of the electron dynamics and a classical treatment of the heavy particle motion. Taking advantage of the real-space grid method, we introduce a "coordinate space translation" technique to allow one to focus on a certain space of interest such as the region around the projectile or the target. Benchmark calculations are given for collisions between proton and oxygen over a wide range of impact energy. To extract the probability of charge transfer, the formulation of Ludde and Dreizler [J. Phys. B 16, 3973 (1983)] has been generalized to ensemble-averaging application in the particular case of O(P-3). Charge transfer total cross sections are calculated, showing fairly good agreements between experimental data and present theoretical results. (C) 2011 American Institute of Physics. [doi:10.1063/1.3581820]
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/10829
- DOI
- 10.1063/1.3581820
- ISSN
- 0021-9606
- Article Type
- Article
- Citation
- JOURNAL OF CHEMICAL PHYSICS, vol. 134, no. 15, 2011-04-21
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