Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method
文献类型：期刊论文
| 作者 | Jing, Yuan-yuan; Song, Kai; Bai, Shu-ming; Shi, Qiang |
| 刊名 | CHINESE JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2015-08-01 |
| 卷号 | 28期号:4页码:431-439 |
| 关键词 | Linear spectra Nonlinear spectra Light harvesting complexes Modified Redfield method |
| 英文摘要 | We employ the numerically exact hierarchical equations of motion (HEOM) method to perform benchmark tests for the popular modified Redfield method in calculating linear and nonlinear spectroscopic signals of molecular aggregates in photosynthetic light harvesting complexes. It is currently well known that the perturbative and Markovian approximations involved in the modified Redfield equation may give inappropriate description of the excitation energy transfer processes in the intermediate coupling regime. An interesting topic is thus to test the validity of the modified Redfield method in calculating various types of spectroscopic signals. By using model dimers with different sets of parameters and a model of the Fenna-Matthews-Olson complex, we calculate and compare the absorption, emission, and 2D spectra using the modified Redfield and HEOM methods. It is found that results from the modified Redfield method agree well with the HEOM ones in a wide range of parameter regimes. The comparison also helps to understand the quantum beating signals in the 2D spectra of the photosynthetic light harvesting complexes. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2015-11-03 |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/28378]  |
| 专题 | 化学研究所_分子动态与稳态结构实验室 |
| 作者单位 | Chinese Acad Sci, Beijing Natl Lab Mol Sci, Inst Chem, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Jing, Yuan-yuan,Song, Kai,Bai, Shu-ming,et al. Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2015,28(4):431-439. |
| APA | Jing, Yuan-yuan,Song, Kai,Bai, Shu-ming,&Shi, Qiang.(2015).Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method.CHINESE JOURNAL OF CHEMICAL PHYSICS,28(4),431-439. |
| MLA | Jing, Yuan-yuan,et al."Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method".CHINESE JOURNAL OF CHEMICAL PHYSICS 28.4(2015):431-439. |
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来源：化学研究所
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