Optical properties of singly charged conjugated oligomers: A coupled-cluster equation of motion study
文献类型：期刊论文
| 作者 | Ye, A; Shuai, Z; Kwon, O; Bredas, JL; Beljonne, D |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2004-09-22 |
| 卷号 | 121期号:12页码:5567-5578 |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.1776113 |
| 英文摘要 | We have implemented a coupled-cluster equation of motion approach combined with the intermediate neglect of differential overlap parametrization and applied it to study the excited states and optical absorptions in positively and negatively charged conjugated oligomers. The method is found to be both reliable and efficient. The theoretical results are in very good agreement with experiments and confirm that there appear two subgap absorption peaks upon polaron formation. Interestingly, the relative intensities of the polaron-induced subgap absorptions can be related to the extent of the lattice geometry relaxations. (C) 2004 American Institute of Physics. |
| 语种 | 英语 |
| WOS记录号 | WOS:000223872000002 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/55739]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Ye, A |
| 作者单位 | 1.Univ Mons, Serv Chim Mat Nouveaux, Ctr Rech Elect & Photon Mol, B-7000 Mons, Belgium 2.Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA 3.Chinese Acad Sci, Inst Chem, Lab Organ Solids, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ye, A,Shuai, Z,Kwon, O,et al. Optical properties of singly charged conjugated oligomers: A coupled-cluster equation of motion study[J]. JOURNAL OF CHEMICAL PHYSICS,2004,121(12):5567-5578. |
| APA | Ye, A,Shuai, Z,Kwon, O,Bredas, JL,&Beljonne, D.(2004).Optical properties of singly charged conjugated oligomers: A coupled-cluster equation of motion study.JOURNAL OF CHEMICAL PHYSICS,121(12),5567-5578. |
| MLA | Ye, A,et al."Optical properties of singly charged conjugated oligomers: A coupled-cluster equation of motion study".JOURNAL OF CHEMICAL PHYSICS 121.12(2004):5567-5578. |
入库方式： OAI收割
来源：化学研究所
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