Related papers: Solving the Holstein molecular crystal model
The molecular-crystal model, that describes a one-dimensional electron gas interacting with quartic anharmonic lattice vibrations, offers great potentials in the mapping of a relatively wide range of low-dimensional fermion systems coupled…
The coherent dynamics of a Holstein polaron in strong electric fields is considered under different regimes. Using analytical and numerical analysis, we show that even for small hopping constant and weak electron-phonon interaction, the…
In most cases, as the strength of electron-phonon coupling increases, the effective mass of polarons typically increases. However, in this paper, we uncover a fascinating phenomenon: the presence of light polarons even within the strong…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
We analyze the global ground-state (quantum) phase diagram of the one-dimensional Holstein model at half-filling as a function of the strength of the electron-phonon coupling (represented by the strength of the phonon-induced attraction,…
The supersolid phase of a dipolar Bose-Einstein condensate has an intriguing excitation spectrum displaying a band structure. Here, the dressing of an impurity in a one-dimensional dipolar supersolid with the excitations of the supersolid…
We present a novel theory of charge-carrier mobilities in organic molecular crystals of high purity. Our approach is based on Holstein's original concept of small-polaron bands but generalized with respect to the inclusion of nonlocal…
We study the Hubbard-Holstein model using slave-boson mean-field and a variation al Lang-Firsov transformation. We identify weak and strong e-ph coupling solutions, whose stability depends both on the bare e-ph coupling and on the…
We study the effects of lattice type on polaron dynamics using a continuous-time quantum Monte-Carlo approach. Holstein and screened Froehlich polarons are simulated on a number of different Bravais lattices. The effective mass, isotope…
In this work, we study the effective behavior of a two-dimensional variational model within finite crystal plasticity for high-contrast bilayered composites. Precisely, we consider materials arranged into periodically alternating thin…
The formation of polaron and its migration in a DNA chain are studied within a semiclassical Peyrard-Biship-Holstein polaron model. Comparing the energetics of the polaron system found from the quantum chemical and semiclassical…
We introduce a non-linear differential flow equation for density matrices that provides a monotonic decrease of the free energy and reaches a fixed point at the Gibbs thermal state. We use this equation to build a variational approach for…
Large-radius translation invariant (TI) bipolarons are considered in a one-dimensional Holstein molecular chain. Criteria of their stability are obtained. The energy of a translation invariant bipolaron is shown to be lower than that of a…
We present an inhomogeneous dynamical mean field theory (I-DMFT) that is suitable to investigate electron-lattice interactions in non-translationally invariant and/or inhomogeneous systems. The presented approach, whose only assumption is…
We generalize the Momentum Average approximations MA$^{(0)}$ and MA$^{(1)}$ to study the effects of coupling to multiple optical phonons on the properties of a Holstein polaron. As for a single phonon mode, these approximations are…
We introduce a variational wave-function to study the polaron formation when the electronic transfer integral depends on the relative displacement between nearest-neighbor sites giving rise to a non-local electron-phonon coupling with…
We present a domain decomposition formulation based on hybridization which is inspired by hybridized discontinuous Galerkin (HDG) methods, that enhance mixed domain decomposition methods by incorporating stabilization terms. Unlike…
We study the spin-$\frac{1}{2}$ Heisenberg antiferromagnet on a series of finite-size clusters with features inspired by the fullerenes. Frustration due to the presence of pentagonal rings makes such structures challenging in the context of…
We present a method for simulating the time evolution of one-dimensional correlated electron-phonon systems which combines the time-evolving block decimation algorithm with a dynamical optimization of the local basis. This approach can…
We develop a variational Monte Carlo (VMC) method for electron-phonon coupled systems. The VMC method has been extensively used for investigating strongly correlated electrons over the last decades. However, its applications to…