Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction

	Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction
	Lv Shuang-Jiang; Zhang Pei-Yu; He Guo-Zhong
刊名	chinese physics letters
	2012-07-01
卷号	29 期号:7
英文摘要	the quantum scattering dynamics calculations are carried out for the exchange and abstraction processes in the d(s-2)+ds((ii)-i-2) reaction by the time-dependent wave-packet (tdwp) method. these calculations are based on the high-quality ab initio potential energy surface of the reacting system. the reaction probabilities and integral cross sections are obtained in the collision energy (e-col) range of 0.0-2.0 ev for the reactant ds initially in the ground state and the first vibrationally excited state. we take the coriolis coupling (cc) effect into account and present the comparison between the cc and the centrifugal sudden (cs) approximation calculation. the dynamics results show that the initial vibrational excitation of ds enhances both abstraction and exchange processes except that it has little effect on the abstraction cross section in the high energy region.
类目[WOS]	physics, multidisciplinary
研究领域[WOS]	physics
关键词[WOS]	configuration-interaction calculations ; chemical-reaction dynamics ; wave-packet
收录类别	SCI
语种	英语
WOS记录号	WOS:000306551200024
公开日期	2015-11-17
内容类型	期刊论文
源URL	[http://159.226.238.44/handle/321008/142887]
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, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
推荐引用方式 GB/T 7714	Lv Shuang-Jiang,Zhang Pei-Yu,He Guo-Zhong. Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction[J]. chinese physics letters,2012,29(7).
APA	Lv Shuang-Jiang,Zhang Pei-Yu,&He Guo-Zhong.(2012).Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction.chinese physics letters,29(7).
MLA	Lv Shuang-Jiang,et al."Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction".chinese physics letters 29.7(2012).