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题名: Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems
作者: Zhang, DH;  Bao, WZ;  Yang, MH;  Lee, SY
通讯作者: 张东辉
刊名: JOURNAL OF CHEMICAL PHYSICS
发表日期: 2005-03-01
DOI: 10.1063/1.1869496
卷: 122, 期:9, 页:091101-1-091101-4
收录类别: SCI
文章类型: Article
部门归属: 11
项目归属: 1102
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Physics, Atomic, Molecular & Chemical
研究领域[WOS]: Physics
英文摘要: A new continuous configuration time-dependent self-consistent field method has been developed to study polyatomic dynamical problems by using the discrete variable representation for the reaction system, and applied to a reaction system coupled to a bath. The method is very efficient because the equations involved are as simple as those in the traditional single configuration approach, and can account for the correlations between the reaction system and bath modes rather well. (C) American Institute of Physics.
关键词[WOS]: THERMAL RATE CONSTANTS ;  WAVE-PACKET ;  SYSTEMS ;  APPROXIMATION ;  BATH ;  SCATTERING ;  MOLECULES
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000227483300001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/93447
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.Chinese Acad Sci, Dalian Inst Chem Phys, Ctr Theoret & Computat Chem, Dalian 116023, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Natl Univ Singapore, Dept Computat Sci, Singapore 119260, Singapore
4.Natl Univ Singapore, Dept Chem, Singapore 119260, Singapore

Recommended Citation:
Zhang, DH,Bao, WZ,Yang, MH,et al. Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems[J]. JOURNAL OF CHEMICAL PHYSICS,2005,122(9):091101-1-091101-4.
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