DICP OpenIR
The validities of centrifugal sudden approximations in chemical reaction dynamics
Chu, Tianshu1,2; Liang, Dongyue2,3; Xu, Jinmei2,4; Dong, Shunle4
KeywordCoriolis-coupling Effects Centrifugal Sudden Approximations Chemical Reaction Dynamics Time-dependent Quantum Wave Packet Adiabaticity Nonadiabaticity
Source PublicationINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
2015-07-05
DOI10.1002/qua.24913
Volume115Issue:13Pages:803-816
Indexed BySCI
SubtypeReview
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Mathematics, Interdisciplinary Applications ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Mathematics ; Physics
WOS KeywordPOTENTIAL-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
AbstractIn 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.
Language英语
WOS IDWOS:000354735600001
Citation statistics
Cited Times:3[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/146250
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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.
APA Chu, Tianshu,Liang, Dongyue,Xu, Jinmei,&Dong, Shunle.(2015).The validities of centrifugal sudden approximations in chemical reaction dynamics.INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY,115(13),803-816.
MLA Chu, Tianshu,et al."The validities of centrifugal sudden approximations in chemical reaction dynamics".INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 115.13(2015):803-816.
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