ICCAS OpenIR
Optical line shapes of molecular aggregates: Hierarchical equations of motion method
Chen, Liping1; Zheng, Renhui1; Shi, Qiang1; Yan, YiJing2
2009-09-07
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume131Issue:9
AbstractThe 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.
KeywordBiexcitons Liouville Equation Macromolecules Master Equation Molecular Clusters Perturbation Theory Quantum Chemistry Spectral Line Breadth
DOI10.1063/1.3213013
Indexed BySCI
Language英语
WOS IDWOS:000269625400015
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:89[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/66196
Collection中国科学院化学研究所
Corresponding AuthorChen, Liping
Affiliation1.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
Recommended Citation
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).
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