Energy flow in the Photosystem I supercomplex: comparison of approximative theories with DM-HEOM

Autor:	Kramer, Tobias, Noack, Matthias, Reimers, Jeffrey R, Reinefeld, Alexander, Rodríguez, Mirta, Yin, Shiwei
Rok vydání:	2018
Předmět:	Physics - Chemical Physics
Zdroj:	Chemical Physics (2018)
Druh dokumentu:	Working Paper
DOI:	10.1016/j.chemphys.2018.05.028
Popis:	We analyze the exciton dynamics in PhotosystemI from Thermosynechococcus elongatus using the distributed memory implementation of the hierarchical equation of motion (DM-HEOM) for the 96 Chlorophylls in the monomeric unit. The exciton-system parameters are taken from a first principles calculation. A comparison of the exact results with Foerster rates and Markovian approximations allows one to validate the exciton transfer times within the complex and to identify deviations from approximative theories. We show the optical absorption, linear, and circular dichroism spectra obtained with DM-HEOM and compare them to experimental results. Comment: 18 pages, 10 figures, fix spelling in names
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1805.10484 Zobrazit plný text záznamu View this record from Arxiv