Journal ArticleDOI
Effect of the electric field mode on the dynamic process of a polaron
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TLDR
In this article, the authors investigated the transport process of a charged polaron under a linearly increasing electric field in conjugated polymers by using a nonadiabatic evolution method.Abstract:
Transport process of a charged polaron under a linearly increasing electric field in conjugated polymers is investigated by using a nonadiabatic evolution method. It is found that the behavior of a polaron depends not only upon the strength of the field but also upon the mode of the application of the field. A polaron can conserve even under a strong field if the field is applied slowly. The result is compared with that of the adiabatic approximation and it is obtained that the nonadiabatic critical time is much larger than the adiabatic value. Dependence of the applying mode of the external electric field on the polaron dissociation and the transition of its velocity from the subsonic to supersonic value are further described.read more
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Dynamics of a one-dimensional Holstein polaron with the Davydov ansätze
TL;DR: In this paper, the Davydov ansatz with two sets of variational parameters, one for each constituting particle in the exciton-phonon system, and a simplified variant of the DAVydov ${\text{D}}_{1}$ ansatz, also known as the $\stackrel{\ifmmode \tilde{}\else \~{}\fi{}}{\text{ D}}$ ansantz, with an additional set of phonon displacement parameters, with a close examination of the variational outputs from the two trial states reveals fine details
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Polaron dynamics with a multitude of Davydov D2 trial states
TL;DR: An extension to the Davydov D2 Ansatz in the dynamics study of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling using the Dirac-Frenkel time-dependent variational principle is proposed.
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Polaron dynamics with a multitude of Davydov D$_2$ trial states
TL;DR: In this article, an extension to the Davydov D$_2$ Ansatz was proposed for the dynamics study of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling using the Dirac-Frenkel time-dependent variational principle.
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Fast, Accurate Simulation of Polaron Dynamics and Multidimensional Spectroscopy by Multiple Davydov Trial States.
TL;DR: For the first time, 2D spectra have been calculated for systems with off-diagonal exciton-phonon coupling by employing themultiple D2 ansatz to compute the nonlinear response function, testifying to the great potential of the multiple D1 (D2) ansatz for fast, accurate implementation of multidimensional spectroscopy.
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Chiral-induced spin selectivity: A polaron transport model
TL;DR: In this paper, a physical model for spin-polarized electron transport through a chiral molecule based on the chiral-induced spin selectivity was proposed, where the transport of an electron coupled to its surrounding lattice distortions, namely, a spatial localized polaron, was incorporated in the model.