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题名: The validities of centrifugal sudden approximations in chemical reaction dynamics
作者: Chu, Tianshu1, 2;  Liang, Dongyue2, 3;  Xu, Jinmei2, 4;  Dong, Shunle4
关键词: Coriolis-coupling effects ;  centrifugal sudden approximations ;  chemical reaction dynamics ;  time-dependent quantum wave packet ;  adiabaticity ;  nonadiabaticity
刊名: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
发表日期: 2015-07-05
DOI: 10.1002/qua.24913
卷: 115, 期:13, 页:803-816
收录类别: SCI
文章类型: Review
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
英文摘要: In this review article, we discuss and analyze the validities of centrifugal sudden (CS) approximations in chemical reactions, with emphasis on the recent progress in the comparison studies of close-coupling and CS approximations in chemical dynamics both adiabatically and nonadiabatically. All these relevant studies are performed using the time-dependent wave packet approach, focusing on several typical and benchmark chemical reactions, for example, the triatomic adiabatic ion-molecule reactions of Ne + H-2(+), He + HeH-, O- + H-2, O+ + D-2, and O+ + HD, the triatomic nonadiabatic reactions of N+NH and O+N-2, and the tetraatomic and polyatomic adiabatic reactions of H-2 + D-2 and H + CHD3. (C) 2015 Wiley Periodicals, Inc.
关键词[WOS]: POTENTIAL-ENERGY SURFACE ;  DEPENDENT WAVE-PACKET ;  CLASSICAL TRAJECTORY CALCULATIONS ;  MECHANICAL CROSS-SECTIONS ;  COUPLED QUANTUM DYNAMICS ;  ION-MOLECULE REACTION ;  AB-INITIO ;  RATE CONSTANTS ;  GROUND-STATE ;  PHOTODISSOCIATION DYNAMICS
语种: 英语
WOS记录号: WOS:000354735600001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146250
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modern Text, Growing Base State Key Lab, Qingdao 266071, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Peoples R China
4.Ocean Univ China, Coll Informat Sci & Engn, Qingdao 266071, Peoples R China

Recommended Citation:
Chu, Tianshu,Liang, Dongyue,Xu, Jinmei,et al. The validities of centrifugal sudden approximations in chemical reaction dynamics[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,2015,115(13):803-816.
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