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Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems
Zhang, DH; Bao, WZ; Yang, MH; Lee, SY; Zhang DH(张东辉); Zhang DH(张东辉)
刊名JOURNAL OF CHEMICAL PHYSICS
2005-03-01
DOI10.1063/1.1869496
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
关键词[WOS]THERMAL RATE CONSTANTS ; WAVE-PACKET ; SYSTEMS ; APPROXIMATION ; BATH ; SCATTERING ; MOLECULES
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.
语种英语
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WOS记录号WOS:000227483300001
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被引频次:7[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/93447
专题中国科学院大连化学物理研究所
通讯作者Zhang DH(张东辉); Zhang DH(张东辉)
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
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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.
APA Zhang, DH,Bao, WZ,Yang, MH,Lee, SY,张东辉,&张东辉.(2005).Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems.JOURNAL OF CHEMICAL PHYSICS,122(9),091101-1-091101-4.
MLA Zhang, DH,et al."Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems".JOURNAL OF CHEMICAL PHYSICS 122.9(2005):091101-1-091101-4.
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