Nonadiabatic photodissociation dynamics
文献类型：期刊论文
| 作者 | Zhao, MY; Meng, QT; Xie, TX; Han, KL; He, GZ |
| 刊名 | international journal of quantum chemistry
 |
| 出版日期 | 2005-01-15 |
| 卷号 | 101期号:2页码:153-159 |
| 关键词 | nonadiabatic photodissociation dynamics wave packet propagation split-operator scheme absorption cross-section vibrational distribution |
| 产权排序 | 1;1 |
| 通讯作者 | 韩克利 |
| 英文摘要 | the photodissociation dynamics of the triatomic (or pseudo-triatomic) system in the nonadiabatic multiple electronic states is investigated by employing a time-dependent quantum wavepacket method, while the time propagation of the wave packet is carried out using the split-operator scheme. as a numerical example, the photodissociation dynamics of ch,l in three electronic states (1)q(1)(a'), (1)q(1)(a"), and (3)q(0+) is studied and ch3i is treated as a pseudotriatomic model. the absorption spectra and product vibrational state distributions are calculated and compared with previous theoretical work. (c) 2004 wiley periodicals, inc. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical ; mathematics, interdisciplinary applications ; physics, atomic, molecular & chemical |
| 研究领域[WOS] | chemistry ; mathematics ; physics |
| 关键词[WOS] | potential-energy surfaces ; methyl-iodide ; ozone photodissociation ; schrodinger-equation ; resonance-raman ; chappuis band ; hartley band ; wave-packet ; ch3i ; photofragmentation |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000225811900004 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/81545]  |
| 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 |
| 作者单位 | Chinese Acad Sci, State Key Lab Mol React Dynam, Ctr Computat Chem, Dalian Inst Chem Phys, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhao, MY,Meng, QT,Xie, TX,et al. Nonadiabatic photodissociation dynamics[J]. international journal of quantum chemistry,2005,101(2):153-159. |
| APA | Zhao, MY,Meng, QT,Xie, TX,Han, KL,&He, GZ.(2005).Nonadiabatic photodissociation dynamics.international journal of quantum chemistry,101(2),153-159. |
| MLA | Zhao, MY,et al."Nonadiabatic photodissociation dynamics".international journal of quantum chemistry 101.2(2005):153-159. |
入库方式： OAI收割
来源：大连化学物理研究所
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