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Exact Quantum-Scattering Study of the D(S-2)+DS((II)-I-2) Reaction
Lv Shuang-Jiang; Zhang Pei-Yu; He Guo-Zhong
Source PublicationCHINESE PHYSICS LETTERS
2012-07-01
DOI10.1088/0256-307X/29/7/073401
Volume29Issue:7
Indexed BySCI
SubtypeArticle
WOS SubjectPhysics, Multidisciplinary
WOS Research AreaPhysics
WOS KeywordCONFIGURATION-INTERACTION CALCULATIONS ; CHEMICAL-REACTION DYNAMICS ; WAVE-PACKET
AbstractThe 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.
Language英语
WOS IDWOS:000306551200024
Citation statistics
Cited Times:4[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/142887
Collection中国科学院大连化学物理研究所
AffiliationChinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
Recommended Citation
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).
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