Modeling of Transient Absorption Spectra in Exciton–Charge-Transfer Systems

作者: Tobias Kramer , Mirta Rodríguez , Yaroslav Zelinskyy

DOI: 10.1021/ACS.JPCB.6B09858

关键词:

摘要: Time-resolved spectroscopy provides the main tool for analyzing dynamics of excitonic energy transfer in light-harvesting complexes. Inferring time scales and effective coupling parameters from experimental data requires development numerically exact theoretical models. The finite duration laser–molecule interactions reorganization process during exciton migration affect location strength spectroscopic signals. We show that nonperturbative hierarchical equations motion method captures these processes a model system, including charge-transfer state.

参考文章(43)
Christoph Kreisbeck, Alán Aspuru-Guzik, Efficiency of energy funneling in the photosystem II supercomplex of higher plants Chemical Science. ,vol. 7, pp. 4174- 4183 ,(2016) , 10.1039/C5SC04296H
Akira Okada, Vladimir Chernyak, Shaul Mukamel, Lanczos Algorithm for Electron Transfer Rates in Solvents with Complex Spectral Densities Advances in Chemical Physics. ,vol. 106, pp. 515- 551 ,(2007) , 10.1002/9780470141656.CH10
Yuan-yuan Jing, Kai Song, Shu-ming Bai, Qiang Shi, Linear and Nonlinear Spectra in Photosynthetic Light Harvesting Complexes: Benchmark Tests of Modified Redfield Method† Chinese Journal of Chemical Physics. ,vol. 28, pp. 431- 439 ,(2015) , 10.1063/1674-0068/28/CJCP1506126
M. F. Gelin, Y. Tanimura, W. Domcke, Simulation of femtosecond "double-slit" experiments for a chromophore in a dissipative environment. Journal of Chemical Physics. ,vol. 139, pp. 214302- 214302 ,(2013) , 10.1063/1.4832876
Valentin I. Prokhorenko, Alfred R. Holzwarth, Primary Processes and Structure of the Photosystem II Reaction Center: A Photon Echo Study†,‡ Journal of Physical Chemistry B. ,vol. 104, pp. 11563- 11578 ,(2000) , 10.1021/JP002323N
Scott R. Greenfield, Michael Seibert, Michael R. Wasielewski, Time-Resolved Absorption Changes of the Pheophytin Qx Band in Isolated Photosystem II Reaction Centers at 7 K: Energy Transfer and Charge Separation Journal of Physical Chemistry B. ,vol. 103, pp. 8364- 8374 ,(1999) , 10.1021/JP990962W
Elisabet Romero, Ramunas Augulis, Vladimir I. Novoderezhkin, Marco Ferretti, Jos Thieme, Donatas Zigmantas, Rienk van Grondelle, Quantum coherence in photosynthesis for efficient solar-energy conversion Nature Physics. ,vol. 10, pp. 676- 682 ,(2014) , 10.1038/NPHYS3017
Liping Chen, Renhui Zheng, Yuanyuan Jing, Qiang Shi, Simulation of the two-dimensional electronic spectra of the Fenna-Matthews-Olson complex using the hierarchical equations of motion method Journal of Chemical Physics. ,vol. 134, pp. 194508- 194508 ,(2011) , 10.1063/1.3589982