Calculation of Multi-ionization of H_2O by Heavy Ions via TDLDA

• 作者: Meng Kelai Xiao Guoqing Zhang Fengshou Zhang Yanping
• 来源期刊: 近代物理研究所和兰州重离子加速器实验室年报：英文版
• 学科: 物理学
• 关键词: 电离 含时密度泛函理论 重离子 计算 电子系统 库仑爆炸 水分子 生物学
• 年，卷（期）: 2005,（1）
• 页码范围: 33-34
• 页数: 2页
• 分类号: O562.4

摘要

<正>The study on the fragmentation and multi-ionization of water molecules is very important in many research fields such as physics, chemistry, biology and so on.In theory, the simple Coulomb Explosion (CE) model can not explain experimental results very well while Time-dependent Density Functional Theory (TDDFT) can deal with the interaction and the excitation properties of the system of electron. Therefore there are good prospects in the application of TDDFT to calculate excitation and ionization of atoms