Related papers: Solving the Holstein molecular crystal model
We develop a hierarchical equations of motion (HEOM) approach to compute real-time single-particle correlation functions and thermodynamic properties of the Holstein model at finite temperature. We exploit the conservation of the total…
We extend the Feynman variational method applied to the parabolic-band Fr\"ohlich (continuum) large polaron~\cite{Feynman1955} to a Holstein (lattice) small polaron, with a parabolic-band. This new theory shows a discrete localisation as a…
We propose the implementation of the Holstein model by means of digital methods in a linear chain of trapped ions. We show how the simulation fidelity scales with the generation of phononic excitations. We propose a decomposition and a…
Localized modes of large amplitudes in nonlinear lattices are considered. The applied method allows the reduction of nonlinear problem to a linear inverse problem of phonons scattering on a local potential. The method is efficient in the…
New variational ansatz for the large-radius Fr\"ohlich polaron is considered. The corresponding operator estimation for the energy of polaron proves to be very similar to the result found by Feynman on the basis of the variational principle…
Using a semiclassical continuum model of an electron in a deformable molecular crystal, some properties of multicomponent generalizations of the polaron--``vector polarons''-- are elucidated. Analytical solutions for the case of two…
Nonperturbative polaron variational methods are applied, within the so-called particle or worldline representation of relativistic field theory, to study scattering in the context of the scalar Wick - Cutkosky model. Important features of…
We study the effect of dynamical Holstein phonons on the physics of the Hubbard model at small doping using the dynamical cluster approximation on a $2\times2$ cluster. Non-local antiferromagnetic correlations are found to significantly…
By employing the Dirac-Frenkel time-dependent variational principle, we study the dynamical properties of the Holstein molecular crystal model with diagonal and off-diagonal exciton-phonon coupling. A linear combination of the Davydov D$_1$…
The extended Hubbard Hamiltonian is a widely accepted model for uncovering the effects of strong correlations on the phase diagram of low-dimensional systems, and a variety of theoretical techniques have been applied to it. In this paper…
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…
In this paper we discuss the electronic kinetic energy in the ground state of the Holstein Hamiltonian in one space dimension using the Global-Local variational method together with perturbation theory at weak and strong coupling. The…
The effects of quantum lattice fluctuations on the Peierls transition are studied within the one--dimensional Holstein molecular crystal model by means of exact diagonalization methods. Applying a very efficient variational Lanczos…
We investigate the energy transfer dynamics in a donor-acceptor model by developing a time-local master equation technique based on a variational transformation of the underlying Hamiltonian. The variational transformation allows a…
We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact exchange in hybrid density functional theory to eliminate…
We examine the superconducting solution in the Holstein model, where the conduction electrons couple to the dispersionless Boson fields, using the Migdal-Eliashberg theory and Dynamical Mean Field Theory. Although different in numerical…
We provide the full classification, in arbitrary even and odd dimensions, of global conformal invariants, i.e., scalar densities in the spacetime metric and its derivatives that are invariant, possibly up to a total derivative, under local…
It was shown that an infinite convergent sequence of improving non-increasing upper bounds to the ground state energy of a slow-moving acoustical polaron can be obtained by means of generalized variational method. The proposed approach is…
We have used an exact diagonalization technique to study the stability of the $t-J$-Holstein and Hubbard-Holstein models under the influence of the electron-phonon interaction. Previous results have been obtained using frozen-phonon…
We apply the Lang-Firsov (LF) transformation to electron-boson coupled Hamiltonians and variationally optimize the transformation parameters and molecular orbital coefficients to determine the ground state. M\o{}ller-Plesset (MP-$n$, with…