Related papers: Solving the Holstein molecular crystal model
The ground state of the Holstein molecular crystal model in one dimension is studied using the Global-Local variational method, analyzing in particular the total energy, kinetic energy, phonon energy, and interaction energy over a broad…
A new variational technique is developed to investigate the polaronic features of the Holstein Molecular Crystal Model. It is based on a linear superposition of Bloch states that describe large and small polaron wave functions. It is shown…
The polaron features of the one-dimensional Holstein Molecular Crystal Model are investigated by improving a variational method introduced recently and based on a linear superposition of Bloch states that describe large and small polaron…
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 present numerical exact results for the polaronic band structure of the Holstein molecular crystal model in one and two dimensions. The use of direct Lanczos diagonalization technique, preserving the full dynamics and quantum nature of…
Multipolaron solutions were studied in the framework of the Holstein one-dimensional molecular crystal model. The study was performed in the continuous limit where the crystal model maps into the nonlinear Schr\"odinger equation for which a…
We present polaron effective masses and selected polaron band structures of the Holstein molecular crystal model in 1-D as computed by the Global-Local variational method over a wide range of parameters. These results are augmented and…
We performed an extensive numerical analysis of the Holstein model. Combining variational Lanczos diagonalisation, density matrix renormalisation group, kernel polynomial expansion, and cluster perturbation theory techniques we solved for…
We apply the Merrifield variational method to the Holstein molecular crystal model in D dimensions to compute non-adiabatic polaron band energies and Franck-Condon factors at general crystal momenta. We analyze these observable properties…
The single-polaron band structure of the Holstein model in one and two dimensions is studied using a new form of resummed strong-coupling perturbation theory. Well converged results are obtained for phonon frequencies of the order of the…
The Holstein Molecular Crystal Model is investigated by a strong coupling perturbative method which, unlike the standard Lang-Firsov approach, accounts for retardation effects due to the spreading of the polaron size. The effective mass is…
We apply weak-coupling perturbation theory to the Holstein molecular crystal model in order to compute an electron-phonon correlation function characterizing the shape and size of the polaron lattice distortion in one, two, and three…
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…
We adapt a variational procedure to calculate ground state properties of the Holstein model in the adiabatic limit. At strong coupling, this adaption leads to rapid convergence of results. The intermediate coupling regime is further handled…
The polaron formation is investigated in the intermediate regime of the Holstein model by using an exact diagonalization technique for the one-dimensional infinite lattice. The numerical results for the electron and phonon propagators are…
It is generally accepted that the dynamical mean field theory gives a good solution of the Holstein model, but only in dimensions greater than two. Here, we show that this theory, which becomes exact in the weak coupling and in the atomic…
In this article, we report a fully ab initio variational Monte Carlo study of the linear, and periodic chain of Hydrogen atoms, a prototype system providing the simplest example of strong electronic correlation in low dimensions. In…
We study Holstein polarons in three-dimensional anisotropic materials. Using a variational exact diagonalization technique we provide highly accurate results for the polaron mass and polaron radius. With these data we discuss the…
We review variational and quantum Monte Carlo approaches based on (extended) Lang-Firsov transformations of the Hamiltonian. Derivations for one, two and many electrons are given, and results for the Holstein polaron, the Holstein-Hubbard…
We apply weak-coupling perturbation theory and strong-coupling perturbation theory to the Holstein molecular crystal model in order to elucidate the effects of anisotropy on polaron properties in D dimensions. The ground state energy is…