An improved variational approach to off-diagonal exciton-phonon coupling

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An improved variational approach to off-diagonal exciton-phonon coupling

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dc.contributor.author Zhao, Yang
dc.contributor.author Li, Guangqi
dc.contributor.author Sun, Jin
dc.contributor.author Wang, Weihua
dc.date.accessioned 2011-03-07T06:39:16Z
dc.date.available 2011-03-07T06:39:16Z
dc.date.copyright 2008
dc.date.issued 2011-03-07T06:39:16Z
dc.identifier.citation Zhao, Y., Li, G., Sun, J., & Wang, W. (2008). An improved variational approach to off-diagonal exciton-phonon coupling. Journal of Chemical Physics, (129), 1-10.
dc.identifier.uri http://hdl.handle.net/10220/6747
dc.description.abstract A state-of-the-art variational wave function incorporating Jastrow-type exciton-phonon correlations, the global-local Ansatz, is utilized to elucidate exciton-phonon correlations in a generalized form of the Holstein Hamiltonian with the simultaneous presence of diagonal and off-diagonal exciton-phonon coupling. Much lowered ground-state energies are found for the global-local Ansatz when compared with the previously studied Toyozawa Ansatz. A three-dimensional phase diagram spanned by the transfer integral and two forms of exciton-phonon coupling is given to illustrate polaronic self-trapping near the zone center.
dc.format.extent 10 p.
dc.language.iso en
dc.relation.ispartofseries Journal of chemical physics
dc.rights © 2008 AIP. This paper was published in Journal of Chemical Physics and is made available as an electronic reprint (preprint) with permission of American Institute of Physics. The paper can be found at: [Doi: http://dx.doi.org/10.1063/1.2987364]. One print or electronic copy may be made for personal use only. Systematic or multiple reproduction, distribution to multiple locations via electronic or other means, duplication of any material in this paper for a fee or for commercial purposes, or modification of the content of the paper is prohibited and is subject to penalties under law.
dc.subject DRNTU::Science::Physics::Atomic physics::Solid state physics.
dc.title An improved variational approach to off-diagonal exciton-phonon coupling
dc.type Journal Article
dc.contributor.school School of Materials Science and Engineering
dc.identifier.doi http://dx.doi.org/10.1063/1.2987364
dc.description.version Published version

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