New implementation to approximate quantum mechanical treatment of atom-diatom chemical reactions
New implementation to approximate quantum mechanical treatment of atom-diatom chemical reactions
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原子硅原子化学反应的近似量子力学处理的新实现
DOI：
10.1021/j100281a024
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发表时间：
1986
期刊：
影响因子：
--
通讯作者：
M. Baer
中科院分区：
文献类型：
--
作者：
Hiroki Nakamura;A. Ohsaki;M. Baer
毫无疑问，化学反应动力学的量子力学研究的重要性。为了更好地理解反应机理，人们设计了各种近似的量子力学理论。对于三维原子-硅藻化学反应过程，精确的量子力学计算几乎是不可能的，这一事实更加强调了发展良好近似理论的重要性
There is no doubt about the importance of quantum mechanical studies of chemical reaction dynamics. In an attempt to have a better understanding of the reaction mechanisms, various ap-proximate quantum mechanical theories have been devised. The significance of developing good approximate theories is more emphasized by the factthat an exact quantum mechanical cal-culation is hardly feasible for a 3-D atom-diatom chemical re-action process