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dc.contributor.authorZhong, Xinxinzh_CN
dc.contributor.authorZhao, Yizh_CN
dc.contributor.author赵仪zh_CN
dc.date.accessioned2015-07-22T03:20:11Z
dc.date.available2015-07-22T03:20:11Z
dc.date.issued2013-Jan 7zh_CN
dc.identifier.citationJOURNAL OF CHEMICAL PHYSICS, 2013,138(1)zh_CN
dc.identifier.otherWOS:000313330000012zh_CN
dc.identifier.urihttps://dspace.xmu.edu.cn/handle/2288/88678
dc.descriptionNational Science Foundation of China (NSFC) [20833004, 21073146, 21133007]zh_CN
dc.description.abstractA new non-Markovian stochastic Schrodinger equation at finite temperatures is presented to correctly describe charge carrier dynamics in organic molecular crystals. The electron-phonon interactions in both site energies and electronic couplings are incorporated by the time-dependent complex-valued random fluctuations which are generated from corresponding spectral density functions. The approach is thus easily extended to investigate coherent-to-hopping charge transfer in systems with thousands of molecular sites. The capability of present approach is demonstrated by numerical simulations of carrier dynamics in the spin-boson model and a realistic Fenna-Matthews-Olson complex. The results manifest that the non-Markovian effect and complex-valued random forces are essential to guarantee the detailed balance. In an application to a long-chain donor-acceptor system, it is also interesting to find a property of coherent-to-hopping charge transfer from temperature dependence of diffusion coefficients. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4773319]zh_CN
dc.language.isoen_USzh_CN
dc.publisherAMER INST PHYSICSzh_CN
dc.source.urihttp://dx.doi.org/10.1063/1.4773319zh_CN
dc.subjectELECTRON-TRANSFER REACTIONSzh_CN
dc.subjectSPIN-BOSON MODELzh_CN
dc.subjectCOLORED-NOISEzh_CN
dc.subjectMOLECULAR-CRYSTALSzh_CN
dc.subjectQUANTUM DYNAMICSzh_CN
dc.subjectSYSTEMzh_CN
dc.subjectSIMULATIONzh_CN
dc.subjectTRANSPORTzh_CN
dc.subjectSEMICONDUCTORSzh_CN
dc.subjectDIFFUSIONzh_CN
dc.titleNon-Markovian stochastic Schrodinger equation at finite temperatures for charge carrier dynamics in organic crystalszh_CN
dc.typeArticlezh_CN


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