Optical line shapes of molecular aggregates: Hierarchical equations of motion method
文献类型：期刊论文
| 作者 | Chen, Liping1; Zheng, Renhui1; Shi, Qiang1; Yan, YiJing2 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2009-09-07 |
| 卷号 | 131期号:9 |
| 关键词 | Biexcitons Liouville Equation Macromolecules Master Equation Molecular Clusters Perturbation Theory Quantum Chemistry Spectral Line Breadth |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.3213013 |
| 英文摘要 | The absorption line shapes of model molecular aggregates are investigated using the recently developed Liouville space hierarchical equations of motion (HEOM) method. The exact results are further exploited for the assessment of several approximation schemes, including the high temperature approximation of HEOM, the stochastic Liouville equation approach, and the perturbative time-local and time-nonlocal quantum master equations (QMEs). The calculations on dimers, larger ring-shaped aggregates, and a model of the B850 ring in the LH2 of purple bacteria show that while the other approximate methods can give reasonable absorption line shapes over a wide range of parameter regimes, the second-order time-nonlocal QME is generally inaccurate and may give spurious peaks in the absorption spectra. |
| 语种 | 英语 |
| WOS记录号 | WOS:000269625400015 |
| 出版者 | AMER INST PHYSICS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66195]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Chen, Liping |
| 作者单位 | 1.Chinese Acad Sci, Beijing Natl Lab Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Inst Chem, Beijing 100190, Peoples R China 2.Hong Kong Univ Sci & Technol, Dept Chem, Kowloon, Hong Kong, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, Liping,Zheng, Renhui,Shi, Qiang,et al. Optical line shapes of molecular aggregates: Hierarchical equations of motion method[J]. JOURNAL OF CHEMICAL PHYSICS,2009,131(9). |
| APA | Chen, Liping,Zheng, Renhui,Shi, Qiang,&Yan, YiJing.(2009).Optical line shapes of molecular aggregates: Hierarchical equations of motion method.JOURNAL OF CHEMICAL PHYSICS,131(9). |
| MLA | Chen, Liping,et al."Optical line shapes of molecular aggregates: Hierarchical equations of motion method".JOURNAL OF CHEMICAL PHYSICS 131.9(2009). |
入库方式： OAI收割
来源：化学研究所
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