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

被引：27

作者：

Wang, F. ^{[1
,2
]}

Xu, X. C. ^{[1
]}

Hong, X. H. ^{[1
]}

Wang, J. ^{[3
]}

Gou, B. C. ^{[1
]}

机构：

[1] Beijing Inst Technol, Dept Appl Phys, Beijing 100081, Peoples R China

[2] Beijing Inst Technol, Key Lab Cluster Sci, Beijing 100081, Peoples R China

[3] Huzhou Univ, Sch Sci, Huzhou 10083, Zhejiang, Peoples R China

来源：

PHYSICS LETTERS A | 2011年 / 375卷 / 37期

关键词：

Collision; Electron transfer; Time-dependent density functional theory; ABSORBING BOUNDARY-CONDITIONS; DENSITY-FUNCTIONAL THEORY; EXCHANGE CROSS SECTIONS; DEPENDENT SCHRODINGER-EQUATION; MEAN-FIELD DESCRIPTION; KOHN-SHAM EQUATIONS; CHARGE-EXCHANGE; INERT-GASES; REAL-SPACE; HYDROGEN COLLISIONS;

D O I：

10.1016/j.physleta.2011.07.032

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

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. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：3290 / 3295

页数：6

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