Optical line shapes of molecular aggregates: Hierarchical equations of motion method

doi:10.1063/1.3213013

CORC > 化学研究所 > 中国科学院化学研究所

	Optical line shapes of molecular aggregates: Hierarchical equations of motion method
	Chen, Liping 1; Zheng, Renhui 1; Shi, Qiang 1; Yan, YiJing 2
刊名	JOURNAL OF CHEMICAL PHYSICS
	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
出版者	AMER INST PHYSICS
WOS记录号	WOS:000269625400015
内容类型	期刊论文
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).