| Large-scale quantum dynamics simulations of molecular systems; 分子体系的大尺度量子动力学模拟 | |
| Zhang DH(张东辉) | |
| 2010-12-15 | |
| 会议名称 | 2010 international chemical congress of pacific basin societies ：quantum coherence and its control in condensed phases |
| 会议日期 | 2010-12-15 |
| 会议地点 | 美国 |
| 其他题名 | 分子体系的大尺度量子动力学模拟 |
| 页码 | 152/2 |
| 通讯作者 | 张东辉 |
| 中文摘要 | in this talk, i will present some of our recent work on large-scale quantum dynamical studies of molecular systems. specifically, i will first present the full dimensional quantum simulation of the unimolecular dissociation of hooh which requires a propagation time of more than 30ps. following that, i will show some seven dimensional quantum dynamical results for the f+chd3 reaction. with two heavy atoms, a large exothermicity, and a long range interaction in product channel, the reaction is the most challenging system studied quantum mechanically so far. |
| 会议主办者 | 美国化学会，加拿大化学会、日本化学会、新西兰化学会、澳大利亚皇家化学会，韩国化学会， 中国化学会 |
| 学科主题 | 物理化学 |
| 语种 | 中文 |
| 内容类型 | 会议论文 |
| 源URL | [http://159.226.238.44/handle/321008/114454]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Zhang DH. Large-scale quantum dynamics simulations of molecular systems, 分子体系的大尺度量子动力学模拟[C]. 见:2010 international chemical congress of pacific basin societies ：quantum coherence and its control in condensed phases. 美国. 2010-12-15. |
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