Related papers: Solving the Holstein molecular crystal model
We extend Merrifield's Variational Ansatz in the variational band theory of polarons to cover a frame of two electronic bands mixed by an Einstein phonon. The Hamiltonian is composed of the local and hopping energy terms, the vibrational…
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…
A new method is presented that allows for efficient evaluation of spin-orbit coupling (SOC) in density-functional theory calculations. In the so-called second-variational scheme, where Kohn-Sham functions obtained in a scalar-relativistic…
We investigate the Holstein model by using the dynamical mean-field theory combined with the exact diagonalization method. Below a critical temperature Tcr, a coexistence of the polaronic and the bipolaronic solutions is found for the same…
We construct heteroclinic orbits for a strongly nonlocal integro-differential equation. Since the energy associated to the equation is infinite in such strongly nonlocal regime, the proof, based on variational methods, relies on a…
The Rice-Sneddon model for BaBiO$_3$ is a nice model Hamiltonian for considering the properties of polarons and bipolarons in a three-dimensional oxide crystal. We use exact diagonalization methods on finite samples to study the stability…
Nonlinear field model of extremal space-time film is considered. Its space-localized solution in toroidal coordinates with periodic dependence in time is investigated. A field configuration having a form of the twisted lightlike soliton…
A novel approach to electronic correlations and magnetism of crystals based on realistic electronic structure calculations is reviewed. In its simplest form it is a combination of the ``local density approximation'' (LDA) and the dynamical…
Fully localised patterns involving cellular hexagons or squares have been found experimentally and numerically in various continuum models. However, there is currently no mathematical theory for the emergence of these localised cellular…
The emergence of the bipolaronic phase and the formation of the heavy-electron state in the anharmonic Holstein model are investigated using the dynamical mean-field theory in combination with the exact diagonalization method. For a weak…
Local existence and well posedness for a class of solutions for the Euler Poisson system is shown. These solutions have a density $\rho$ which either falls off at infinity or has compact support. The solutions have finite mass, finite…
We present a precise solution of the polaron problem by a novel Monte Carlo method. Basing on conventional diagrammatic expansion for the Green function of the polaron, $G({\bf k}, \tau)$, we construct a process of generating continuous…
We study the finite-temperature transport of electrons coupled to anharmonic local phonons. Our focus is on the high-temperature incoherent regime, where controlled calculations are possible both for weak and strong electron--phonon…
We show how to systematically improve the Momentum Average (MA)approximation for the Green's function of a Holstein polaron, bysystematically improving the accuracy of the self-energy diagrams in such a way that they can still all be summed…
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…
Based on an exact expression for the self-energy of the Jahn-Teller polaron, we find that symmetry of pseudospin rotation makes the vertex correction much less effective than that for the Holstein polaron. This ineffectiveness brings about…
We introduce a scalable, translationally invariant variational theory for ab initio polarons that remains applicable across coupling regimes without resorting to supercells. Our approach combines a momentum-projected Toyozawa-type…
The two dimensional Hubbard model in the presence of diagonal and off-diagonal disorder is studied at half filling with a finite temperature quantum Monte Carlo method. Magnetic correlations as well as the electronic compressibility are…
We have developed a symmetry-adapted modeling procedure for molecules and crystals. By using the completeness of multipoles to express spatial and time-reversal parity-specific anisotropic distributions, we can generate systematically the…
The variational method and the Hamiltonian formalism of QCD are used to derive relativistic, momentum space integral equations for a quark-antiquark system with an arbitrary number of gluons present. As a first step, the resulting infinite…