dc.contributor.authorSun, Ke-Wei
dc.contributor.authorGelin, Maxim F.
dc.contributor.authorChernyak, Vladimir Y.
dc.contributor.authorZhao, Yang
dc.identifier.citationSun, K.-W., Gelin, M. F., Chernyak, V. Y., & Zhao, Y. (2015). Davydov Ansatz as an efficient tool for the simulation of nonlinear optical response of molecular aggregates. Journal of chemical physics, 142, 212448-.en_US
dc.description.abstractWe have developed a variational approach to the description of four-wave-mixing signals of molecular aggregates, in which the third-order response functions are evaluated in terms of the Davydov Ansätze. Our theory treats both singly and doubly excited excitonic states, handling the contributions due to stimulated emission, ground state bleach, and excited state absorption. As an illustration, we simulate a series of optical two-dimensional spectra of model J-aggregates. Our approach may become suitable for the computation of femtosecond optical four-wave-mixing signals of molecular aggregates with intermediate-to-strong exciton-phonon and exciton-exciton coupling strengths.en_US
dc.relation.ispartofseriesJournal of chemical physicsen_US
dc.rights© 2015 American Institute of Physics. This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of Chemical Physics, American Institute of Physics. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [http://dx.doi.org/10.1063/1.4921575].en_US
dc.subjectDRNTU::Science::Chemistry::Physical chemistry::Molecular structure and bonding
dc.titleDavydov Ansatz as an efficient tool for the simulation of nonlinear optical response of molecular aggregatesen_US
dc.typeJournal Article
dc.contributor.schoolSchool of Materials Science and Engineeringen_US
dc.description.versionAccepted versionen_US

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