Continuous configuration time-dependent self-consistent field method for polyatomic quantum dynamical problems
文献类型：期刊论文
| 作者 | Zhang, DH; Bao, WZ; Yang, MH; Lee, SY |
| 刊名 | journal of chemical physics
 |
| 出版日期 | 2005-03-01 |
| 卷号 | 122期号:9页码:091101-1-091101-4 |
| 产权排序 | 1;1 |
| 通讯作者 | 张东辉 |
| 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. |
| 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 |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000227483300001 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/93447]  |
| 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.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 |
| 推荐引用方式 GB/T 7714 | 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.(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. |
入库方式： OAI收割
来源：大连化学物理研究所
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