Ion Collisions with Water Molecules: A Time-Dependent Density Functional Theory Approach

被引：4

作者：

Kirchner, Tom ^{[1
]}

Murakami, Mitsuko ^{[1
]}

Horbatsch, Marko ^{[1
]}

Luedde, Hans Juergen ^{[2
]}

机构：

[1] York Univ, Dept Phys & Astron, Toronto, ON M3J 1P3, Canada

[2] Goethe Univ Frankfurt, Inst Theoret Phys, D-60438 Frankfurt, Germany

来源：

THEORY OF HEAVY ION COLLISION PHYSICS IN HADRON THERAPY | 2013年 / 65卷

关键词：

CROSS-SECTIONS; IONIZATION; VAPOR; CAPTURE; HE+;

D O I：

10.1016/B978-0-12-396455-7.00011-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Collisions of simple ions from water molecules in the energy range of 10-5000 keV/amu are considered within an independent electron model. The basis generator method applied in the past successfully to ion-atom collisions is adapted to deal with molecular targets. Cross sections for single- and multiple-electron processes (capture and transfer to the continuum) are obtained directly from solving time-dependent Kohn-Sham-type orbital equations and using a Slater determinant based analysis. Fragmentation yields are predicted on the basis of a semi-phenomenological model which uses the calculated cross sections as input. Comparison with experiment is made for proton and He+ impact collisions.

引用

页码：315 / 337

页数：23

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