Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method

CORC > 化学研究所 > 中国科学院化学研究所 > 分子动态与稳态结构实验室

	Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method
	Jing, Yuan-yuan; Song, Kai; Bai, Shu-ming; Shi, Qiang
刊名	CHINESE JOURNAL OF CHEMICAL PHYSICS
	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
内容类型	期刊论文
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.