Related papers: Dynamics of Holstein polaron in a chain with therm…
In this work, we consider the motion of a polaron in a polynucleotide Holstein molecular chain in a constant electric field. It is shown that the character of the polaron motion in the chain depends not only on the chosen parameters of the…
When modeling charge dynamics in a chain of N sites at a temperature T, a Langevin thermostat and a Hamiltonian system, i.e., a chain heated to a given temperature before charge is injected, are compared. It is shown that the polaron…
Various regimes of a charge motion along a chain in a constant electric field are investigated. This motion is simulated on the basis of the Holstein model. Earlier studies demonstrate a possibility of a uniform motion of a charge in a…
A charge motion in an electric field in a Holstein molecular chain is modeled in the absence of dissipation. It is shown that in a weak electric field a Holstein polaron moves uniformly experiencing small oscillations of its shape. These…
We use a Langevin approach to treat the finite temperature dynamics of displacement variables in the half-filled spinless Holstein model. Working in the adiabatic regime we exploit the smallness of the adiabatic parameter to simplify the…
We present a hybrid quantum-classical simulation of charge-polaron transport in conjugated polymers. The charge, which couples to the angular rotations of the monomers, is modeled via the time-dependent Schr\"odinger equation, while the…
We study, at zero temperature, the dynamics of a single electron in a Holstein model augmented by site-diagonal, binary-alloy type disorder. The average over the phonon vacuum and the alloy configurations is performed within a generalized…
We provide a comprehensive solution to the lattice dynamics problem in the two dimensional Holstein model at finite electron density and finite temperature. We work in the physically relevant adiabatic regime and vary the electron-phonon…
We present a unified view of the transport properties of small-polarons in the Holstein model at low carrier densities, based on the Dynamical Mean Field Theory. The nonperturbative nature of the approach allows us to study the crossover…
The ground state and finite temperature properties of polarons are studied considering a two-site and a four-site Holstein model by exact diagonalization of the Hamiltonian. The kinetic energy, Drude weight, correlation functions involving…
We study the Hamiltonian dynamics of a free particle injected onto a chain containing a periodic array of harmonic oscillators in thermal equilibrium. The particle interacts locally with each oscillator, with an interaction that is linear…
The coherent dynamics of a Holstein polaron in strong electric fields is considered under different regimes. Using analytical and numerical analysis, we show that even for small hopping constant and weak electron-phonon interaction, the…
Various charge migration mechanisms in the DNA are studied within the framework of the Peyrard-Bishop-Holstein model which has been widely used to address charge dynamics in this macromolecule. To analyze these mechanisms we consider…
We present the first unbiased results for the mobility $\mu$ of one-dimensional Holstein polaron obtained by numerical analytic continuation combined with diagrammatic and world-line Monte Carlo methods in the thermodynamic limit. We have…
We performed an extensive numerical analysis of the Holstein model. Combining variational Lanczos diagonalisation, density matrix renormalisation group, kernel polynomial expansion, and cluster perturbation theory techniques we solved for…
The dynamics of charge migration was modeled to calculate temperature dependencies of its thermodynamic equilibrium values such as energy and electronic heat capacity in homogeneous adenine fragments. The energy varies from nearly polaron…
We investigate the dynamics of an electron coupled to dispersionless optical phonons in the Holstein model, at high temperatures. The dynamics is conventionally believed to be diffusive, as the electron is repeatedly scattered by optical…
The polaron formation is investigated in the intermediate regime of the Holstein model by using an exact diagonalization technique for the one-dimensional infinite lattice. The numerical results for the electron and phonon propagators are…
The temperature dependence of a charge mobility in a model DNA based on Holstein Hamiltonian is calculated for 4 types of homogeneous sequences It has turned out that upon rescaling all 4 types are quite similar. Two types of rescaling,…
We explore polaronic quantum transport in three-dimensional models of disordered organic crystals with strong coupling between electronic and vibrational degrees of freedom. By studying the polaron dynamics in a static disorder environment,…