Related papers: Solving the Holstein molecular crystal model
We propose a class of variational Gaussian wavefunctions to describe Fr\"ohlich polarons at finite momenta. Our wavefunctions give polaron energies that are in excellent agreement with the existing Monte Carlo results for a broad range of…
We calculate the frequency-dependent mobility of the Holstein polaron in one dimension near adiabatic limit using the method based on dynamical quantum tipicality, as well as the quantum-classical method. The agreement between fully quantum…
We consider transport through finite quantum systems such as quantum barriers, wells, dots or junctions, coupled to local vibrational modes in the quantal regime. As a generic model we study the Holstein-Hubbard Hamiltonian with…
The mixed spin-1 and spin-1/2 Heisenberg octahedral chain with regularly alternating monomeric spin-1 sites and square-plaquette spin-1/2 sites is investigated using variational technique, localized-magnon approach, exact diagonalization…
The one-electron spectral function of the Holstein-Hubbard bipolaron in one dimension is studied using cluster perturbation theory together with the Lanczos method. In contrast to other approaches, this allows one to calculate the spectrum…
We solve the disordered Holstein model via the DMRG method to investigate the combined roles of electron-phonon coupling and disorder on the localization of a single charge or exciton. The parameter regimes chosen, namely the adiabatic…
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…
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…
An analytical variational method is applied to the molecular Holstein Hamiltonian in which the dispersive features of the dimension dependent phonon spectrum are taken into account by a force constant approach. The crossover between a large…
The optical properties of polarons are studied in the framework of the Holstein model by applying the dynamical mean-field theory. This approach allows to enlighten important quantitative and qualitative deviations from the limiting…
We describe the formation and properties of Holstein polarons in the entire parameter regime. Our presentation focuses on the polaron mass and radius, which we obtain with an improved numerical technique. It is based on the combination of…
An optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems is proposed. The variational method is based on an expansion in coherent states that leads to a dramatic truncation in the phonon space.…
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the…
The two-dimensional Holstein model is studied by means of direct Lanczos diagonalization preserving the full dynamics and quantum nature of phonons. We present numerical exact results for the single-particle spectral function, the polaronic…
We present a new variational model for computing the electronic first-order density matrix of a crystalline material in presence of a local defect. A natural way to obtain variational discretizations of this model is to expand the…
Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as…
We develop and compare several analytical approximations for the polaron problem in finite-width, non-parabolic conduction bands. The main focus of the work is an extension of the Feynman variational method to a tight-binding lattice, where…
We develop a non-Gaussian variational approach that enables us to study both equilibrium and far-from-equilibrium physics of the two-dimensional Fermi polaron. This method provides an unbiased analysis of the polaron-to-molecule phase…
Non-diagonal couplings to a bosonic bath completely change polaronic dynamics, from the usual diagonally-coupled paradigm of smoothly-varying properties. We study, using analytic and numerical methods, a model having both diagonal Holstein…
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…