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dc.contributor.authorZhu, Jing
dc.contributor.authorKais, Sabre
dc.contributor.authorRebentrost, Patrick
dc.contributor.authorAspuru-Guzik, Alán
dc.date.accessioned2012-03-09T22:33:22Z
dc.date.issued2011
dc.identifier.citationZhu, Jing, Sabre Kais, Patrick Rebentrost, and Alán Aspuru-Guzik. 2011. Modified scaled hierarchical equation of motion approach for the study of quantum coherence in photosynthetic complexes. Journal of Physical Chemistry B 115(6), 1531–1537.en_US
dc.identifier.issn1520-6106en_US
dc.identifier.issn1520-5207en_US
dc.identifier.urihttp://nrs.harvard.edu/urn-3:HUL.InstRepos:8347333
dc.description.abstractWe present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna−Matthews−Olson (FMO) pigment−protein complex, using the newly developed modified scaled hierarchical approach (Shi, Q.; et al. J. Chem. Phys. 2009, 130, 084105). We show that this approach is computationally more efficient than the original hierarchical approach. The modified approach reduces the truncation levels of the auxiliary density operators and the correlation function. We provide a systematic study of how the number of auxiliary density operators and the higher-order correlation functions affect the exciton dynamics. The time scales of the coherent beating are consistent with experimental observations. Furthermore, our theoretical results exhibit population beating at physiological temperature. Additionally, the method does not require a low-temperature correction to obtain the correct thermal equilibrium at long times.en_US
dc.description.sponsorshipChemistry and Chemical Biologyen_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.relation.isversionofdoi:10.1021/jp109559pen_US
dc.relation.hasversionhttp://arxiv.org/abs/1101.0010en_US
dash.licenseOAP
dc.subjectchemical physicsen_US
dc.subjectquantum physicsen_US
dc.titleModified Scaled Hierarchical Equation of Motion Approach for the Study of Quantum Coherence in Photosynthetic Complexesen_US
dc.typeJournal Articleen_US
dc.description.versionAuthor's Originalen_US
dc.relation.journalJournal of Physical Chemistry Ben_US
dash.depositing.authorAspuru-Guzik, Alán
dc.date.available2012-03-09T22:33:22Z
dc.identifier.doi10.1021/jp109559p*
dash.contributor.affiliatedAspuru-Guzik, Alan


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