Related papers: Revisiting the Extraction of Coupling Strength for…
We consider a polaron model where molecular \emph{rotations} are important. Here, the usual hopping between neighboring sites is affected directly by the electron-phonon interaction via a {\em twist-dependent} hopping amplitude. This model…
Since the preliminary work of Anisimov and co-workers, the Hubbard corrected DFT+$U$ functional has been used for predicting properties of correlated materials by applying on-site effective Coulomb interactions to specific orbitals.…
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…
The 2D lattice gas model with competing short and long range interactions is appliedused for calculation of the incoherent charge transport in the classical strongly-correlated charge segregated polaronic state. We show, by means of…
In the present work, the problem of an all-coupling analytic description for the optical conductivity of the Froehlich polaron is treated, with the goal being to bridge the gap in validity range that exists between two complementary…
We derive an effective cluster model to address the transport properties of mutually interacting small polarons. We propose a decoupling scheme where the hopping dynamics of any given particle is determined by separating out explicitly the…
In a polar solid, electrons or other charge carriers can interact with the phonons of the ionic lattice, leading to the formation of polaron quasiparticles. The optical conductivity and optical absorption spectrum of a material are affected…
We present a model intended for rapid sampling of ground and excited state potential energy surfaces for first-row transition metal active sites. The method is computationally inexpensive and is suited for dynamics simulations where (1)…
The properties of an electron in a typical solid are modified by the interaction with the crystal ions, leading to the formation of a quasiparticle: the polaron. Such polarons are often described using the Fr\"ohlich Hamiltonian, which…
The description of an impurity atom in a Bose-Einstein condensate can be cast in the form of Frohlich's polaron Hamiltonian, where the Bogoliubov excitations play the role of the phonons. An expression for the corresponding polaronic…
This paper investigates the energy harvested from the flutter of a plate in an axial flow by making use of piezoelectric materials. The equations for fully-coupled linear dynamics of the fluid-solid and electrical systems are derived. The…
A strong-coupling expansion is applied to the anharmonic Holstein model and to the Holstein-Hubbard model through fourth order in the hopping matrix element. Mean-field theory is then employed to determine transition temperatures of the…
We propose an approach for inferring strength of coupling between two systems from their transient dynamics. This is of vital importance in cases where most information is carried by the transients, for instance in evoked potentials…
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian,…
We calculate the low temperature properties of an acoustic polaron in three dimensions in thermal equilibrium at a given temperature using a specialized path integral Monte Carlo method. In particular we find numerical evidence that the…
We study the finite-temperature transport of electrons coupled to anharmonic local phonons. Our focus is on the high-temperature incoherent regime, where controlled calculations are possible both for weak and strong electron--phonon…
In this paper we apply variational energy band theory to a form of the Holstein Hamiltonian in which the influence of lattice vibrations (optical phonons) on both local site energies (local coupling) and transfers of electronic excitations…
The paper is devoted to the effects of superconducting pairing in small metallic grains. It turns out that at strong superconducting coupling and in the limit of large Thouless conductance one can explicitly determine the low energy…
We present the first numerically exact study of a polaron with quadratic coupling to the oscillator displacement, using two alternative methodological developments. Our results cover both anti-adiabatic and adiabatic regimes and the entire…
We study how polariton condensation modifies charge transport in organic materials. In typical organic materials, charge transport proceeds via incoherent hopping. We therefore provide an approach to determine how the rate and final state…