Related papers: Benchmarking the Exponential Ansatz for the Holste…
We investigate the low-energy properties of the Holstein polaron through calculation of the q-dependent phonon spectral function using an improved exact-diagonalization technique, defined over a variational Hilbert space. We perform a…
The crossover from quasi free electron to small polaron in the Holstein model for a single electron is studied by means of both exact and self-consistent calculations in one dimension and on an infinite coordination lattice, in order to…
Using the momentum average approximation we study the importance of adding higher-than-linear terms in the electron-phonon coupling on the properties of single polarons described by a generalized Holstein model. For medium and strong linear…
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…
We introduce a new type of Gutzwiller variational wavefunction for correlated electrons coupled to phonons, able to treat on equal footing electronic and lattice degrees of freedom. We benchmark the wavefunction in the infinite-$U$…
We review numerical results for ground-state and spectral properties of the single-electron Holstein model.
An analytical approach to the one-dimensional spinless Holstein model is proposed, which is valid at finite charge-carrier concentrations. Spectral functions of charge carriers are computed on the basis of self-energy calculations. A…
We study Holstein polarons in three-dimensional anisotropic materials. Using a variational exact diagonalization technique we provide highly accurate results for the polaron mass and polaron radius. With these data we discuss the…
We study the quantum dynamics of small polaron formation and polaron transport through finite quantum structures in the framework of the one-dimensional Holstein model with site-dependent potentials and interactions. Combining Lanczos…
The single-polaron band structure of the Holstein model in one and two dimensions is studied using a new form of resummed strong-coupling perturbation theory. Well converged results are obtained for phonon frequencies of the order of the…
We show that in crystals where light ions are symmetrically intercalated between heavy ions, the electron-phonon coupling for carriers located at the light sites cannot be described by a Holstein model. We introduce the double-well…
An exact diagonalization technique is used to investigate the low-lying excited polaron states in the Holstein model for the infinite one-dimensional lattice. For moderate values of the adiabatic ratio, a new and comprehensive picture,…
We explore the quasiparticle properties of lattice polarons on the basis of a quite general electron-phonon Hamiltonian with a long-range displacement-type of interaction. To treat the dynamical quantum phonons without significant loss of…
The effect of a solid-vacuum interface on the properties of a strongly coupled electron-phonon system is analyzed using dynamical mean-field theory to solve the Holstein model in a semi-infinite cubic lattice. Polaron formation is found to…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
Understanding the fundamental properties that dictate photoexcited polarons in materials is critical to tuning their properties. Theoretical models of polarons have only recently been extended to the excited state. Experimental measurements…
We use continuous-time quantum Monte Carlo simulations to study retardation effects in the metallic, quarter-filled Holstein model in one dimension. Based on results which include the one- and two-particle spectral functions as well as the…
We investigate polaron formation in a many-electron system in the presence of a local repulsion sufficiently strong to prevent local-bipolaron formation. Specifically, we consider a Hubbard-Holstein model of interacting electrons coupled to…
Using the perturbation method based on a variational phonon basis obtained by the modified Lang-Firsov (MLF) transformation, the two-site single polaron Holstein model is studied in presence of a difference in bare site energies…
Charge carriers in organic semiconductors form polarons, which are self-localized states stabilized by interactions with their environment. Using a dielectric-stabilized tight-binding model parameterized from first-principles calculations,…