## Abstract

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.

Original language | English |
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Pages (from-to) | 3290-3295 |

Number of pages | 6 |

Journal | Physics Letters, Section A: General, Atomic and Solid State Physics |

Volume | 375 |

Issue number | 37 |

DOIs | |

Publication status | Published - 29 Aug 2011 |

## Keywords

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