Related papers: Small adiabatic polaron with a long-range electron…
We study the role of non-adiabatic Holstein electron-phonon coupling on the neutral-ionic phase transition of charge transfer crystals which can be tuned from continuous to discontinuous, using exact numerical diagonalization. The variation…
Applying the canonical transformation with the 1/\lambda perturbation expansion in the nonadiabatic and intermediate regime and the discrete generalisation of Pekar's continuous nonlinear equation in the extreme adiabatic regime we show…
Nonequilibrium dynamics of the open chain Holstein-Hubbard model is studied using the linear time-scaling GKBA+ODE scheme developed in the preceeding paper. We focus on the set of parameters relevant for photovoltaic materials, i.\,e., a…
A convergent perturbation method using modified Lang Firsov transformation is developed for a two-site single-polaron system. The method is applicable for the entire range of the electron-phonon coupling strength from the antiadiabatic…
The ground state polaron potential of 1D lattice of two-level molecules with spinless electrons and two Einstein phonon modes with quantum phonon-assisted transitions between the levels is found anharmonic in phonon displacements. The…
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…
We describe a variational method to solve the Holstein model for an electron coupled to dynamical, quantum phonons on an infinite lattice. The variational space can be systematically expanded to achieve high accuracy with modest…
We derive an effective polaronic interaction Hamiltonian, {\it exact to second order in perturbation}, for the spinless one-dimensional Holstein model. The small parameter is given by the ratio of the hopping term ($t$) to the polaronic…
The bound states of two electrons in the adiabatic Holstein-Hubbard model are studied numerically in one and two dimensions from the anticontinuous limit. This model involves a competition between a local electron-phonon coupling (with a…
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…
Here the electron-phonon Holstein model with Rashba spin-orbit interaction is studied for a two dimensional square lattice in the adiabatic limit. It is demonstrated that a delocalized electron at zero spin-orbit coupling localizes into a…
We investigate the influence of electron-phonon coupling on the superexchange interaction of magnetic insulators. Both the Holstein-Hubbard model where the phonons couple to the electron density, as well as an extended Su, Schrieffer,…
The spatially localized bound states of two electrons in the adiabatic two-dimensional Holstein-Hubbard model on a square lattice are investigated both numerically and analytically. The interplay between the electron-phonon coupling g,…
We survey polaron formation in the BLF-SSH model using acoustic phonons in the adiabatic limit. Multiple different numerical optimization routines and strong coupling analytical calculations are used to find a robust ground state energy for…
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…
For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…
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…
The phonon spectral function of the one-dimensional Holstein model is obtained within weak and strong-coupling approximations based on analytical self-energy calculations. The characteristic excitations found in the limit of small…
The crossover between two customary limits of phonon-assisted tunneling, the adiabatic and antiadiabatic regimes, is studied systematically in the framework of a minimal model for molecular devices: a resonant level coupled by displacement…
The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…