Related papers: Spectral function of electron-phonon models by clu…
We develop a theoretical and computational framework to study polarons in semiconductors and insulators from first principles. Our approach provides the formation energy, excitation energy, and wavefunction of both electron and hole…
Using recently developed quantum SU(2)xU(1) rotor approach, that provides a self-consistent treatment of the antiferromagnetic state we have performed electronic spectral function calculations for the Hubbard model on the square lattice.…
We adapt the Coupled Cluster Method to solid state strongly correlated lattice Hamiltonians extending the Coupled Cluster linear response method to the calculation of electronic spectra and obtaining the space-time Fourier transforms of…
We investigate the spectral function of Bloch states in an one-dimensional tight-binding non-interacting chain with two different models of static correlated disorder, at zero temperature. We report numerical calculations of the…
A single electron in one dimensional lattice is considered within the framework of extended Holstein model at strong-coupling limit. Disordered density-displacement type electron-phonon interaction is proposed. Basic parameters of small…
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…
The zero-temperature single-particle Green's function of correlated fermion models with moderately large Hilbert-space dimensions can be calculated by means of Krylov-space techniques. The conventional Lanczos approach consists of finding…
We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…
The two-site two-electron Holstein model is studied within a perturbation method based on a variational phonon basis obtained through the modified Lang-Firsov (MLF) transformation. The ground-state wave function and the energy are found out…
The self consistent version of the density functional theory is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems. An exact functional equation for the effective interaction, from…
The polaron energy and the effective mass are calculated for an electron confined in a finite quantum well constructed of $GaAs/Al_x Ga_{1-x} As$ layers. To simplify the study we suggest a model in which parameters of a medium are averaged…
We calculate the $^{16}$O spectral function by combining coupled-cluster theory with a Gaussian integral transform and by expanding the integral kernel in terms of Chebyshev polynomials to allow for a quantification of the theoretical…
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…
Calculations of one-electron spectral functions, optical conductivity and spin-wave energy in the Holstein double-exchange model are made using the many-body coherent potential approximation. Satisfactory agreement is obtained with…
The ability to control and modify infrared excitations in condensed matter is of both fundamental and application interests. Here we explore a system supporting low-energy excitations, in particular, mid-infrared localized plasmon modes and…
A new Monte Carlo algorithm for calculating polaron effective mass is proposed. It is based on the path-integral representation of a partial partition function with fixed total quasi-momentum. Phonon degrees of freedom are integrated out…
We present a method for solving impurity models with electron-phonon coupling, which treats the phonons efficiently and without approximations. The algorithm is applied to the Holstein-Hubbard model in the dynamical mean field…
Using for unperturbed electron and phonon Hamiltonians a representation by the Jacobi matrices a one-dimensional model of the electron-phonon interaction is constructed. In frame of the model the polaron and scattering spectral bands are…
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 have studied the validity of the spin polaron picture in the frustrated J1-J2 Heisenberg model. For this purpose, we have computed the hole spectral functions for the Neel, collinear, and disordered phases of this model, by means of the…