The validities of centrifugal sudden approximations in chemical reaction dynamics

	The validities of centrifugal sudden approximations in chemical reaction dynamics
	Chu, Tianshu 1,2; Liang, Dongyue 2,3; Xu, Jinmei 2,4; Dong, Shunle 4
刊名	international journal of quantum chemistry
	2015-07-05
卷号	115 期号:13 页码:803-816
关键词	Coriolis-coupling effects centrifugal sudden approximations chemical reaction dynamics time-dependent quantum wave packet adiabaticity nonadiabaticity
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.
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 surface ; dependent wave-packet ; classical trajectory calculations ; mechanical cross-sections ; coupled quantum dynamics ; ion-molecule reaction ; ab-initio ; rate constants ; ground-state ; photodissociation dynamics
收录类别	SCI
语种	英语
WOS记录号	WOS:000354735600001
公开日期	2016-05-09
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/146250]
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	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
推荐引用方式 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.