期刊
SCIENCE
卷 333, 期 6041, 页码 440-442出版社
AMER ASSOC ADVANCEMENT SCIENCE
DOI: 10.1126/science.1205770
关键词
-
资金
- Chinese Academy of Sciences
- National Natural Science Foundation of China
- Ministry of Science and Technology
Quantum dynamical theories have progressed to the stage in which state-to-state differential cross sections can now be routinely computed with high accuracy for three-atom systems since the first such calculation was carried out more than 30 years ago for the H + H-2 system. For reactions beyond three atoms, however, highly accurate quantum dynamical calculations of differential cross sections have not been feasible. We have recently developed a quantum wave packet method to compute full-dimensional differential cross sections for four-atom reactions. Here, we report benchmark calculations carried out for the prototypical HD + OH -> H2O + D reaction on an accurate potential energy surface that yield differential cross sections in excellent agreement with those from a high-resolution, crossed-molecular beam experiment.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据