Related papers: Solving the Holstein molecular crystal model
We study, at zero temperature, the dynamics of a single electron in a Holstein model augmented by site-diagonal, binary-alloy type disorder. The average over the phonon vacuum and the alloy configurations is performed within a generalized…
The one-dimensional Holstein model of spinless fermions interacting with dispersionless phonons is studied using a new variant of the density matrix renormalisation group. By examining various low-energy excitations of finite chains, the…
We demonstrate the accuracy of ground-state energies of the transcorrelated Hamiltonian, employing sophisticated Jastrow factors obtained from variational Monte Carlo, together with the coupled cluster and distinguishable cluster methods at…
This paper addresses the variational multiscale stabilization of standard finite element methods for linear partial differential equations that exhibit multiscale features. The stabilization is of Petrov-Galerkin type with a standard finite…
We consider an electron-phonon system in two and three dimensions on square, hexagonal and cubic lattices. The model is a modification of the standard Holstein model where the optical branch is appropriately curved in order to have a…
The crossover from quasi free electron to small polaron in the Holstein model for a single electron is studied by means of both exact and self-consistent calculations in one dimension and on an infinite coordination lattice, in order to…
The electronic structure of condensed matter can be significantly affected by the electron-phonon interaction, leading to important phenomena such as electrical resistance, superconductivity or the formation of polarons. This interaction is…
Following the Dirac-Frenkel time-dependent variational principle, dynamics of a one-dimensional Holstein polaron is probed by employing the Davydov D2 Ansatz with two sets of variational parameters, one for each constituting particle in the…
The paper deals with the ground and the first excited state of the polaron in the one dimensional Holstein model. Various variational methods are used to investigate both the weak coupling and strong coupling case, as well as the crossover…
An exact diagonalization technique is used to investigate the low-lying excited polaron states in the Holstein model for the infinite one-dimensional lattice. For moderate values of the adiabatic ratio, a new and comprehensive picture,…
A formula is derived that relates the ground-state dispersion of a many-body system with the end-to-end distribution of paths with open boundary conditions in imaginary time. The formula does not involve the energy estimator. It allows…
We extend a previously developed model for the Stark resonances of the water molecule. The method employs a partial-wave expansion of the single-particle orbitals using spherical harmonics. To find the resonance positions and decay rates,…
Cluster perturbation theory in combination with the Lanczos method is used to compute the one-electron spectral function of the Holstein polaron in one and two dimensions. It is shown that the method allows reliable calculations using…
Magnetic, thermodynamic, and magnetocaloric properties of a spin-1/2 Heisenberg octahedral chain with three distinct exchange interactions are investigated in an external magnetic field using the variational method, extended…
Using the momentum average approximation we study the importance of adding higher-than-linear terms in the electron-phonon coupling on the properties of single polarons described by a generalized Holstein model. For medium and strong linear…
The concept of local polaritons is used to describe optical properties of mixed crystals in the frequency region of their {\it restrahlen} band. It is shown that this concept allows for a physically transparent explanation of the presence…
Unitary transformations can allow one to study open quantum systems in situations for which standard, weak-coupling type approximations are not valid. We develop here an extension of the variational (polaron) transformation approach to open…
Recent experimental results on global polarization of hyperons and spin alignment of vector mesons in heavy-ion collisions are reviewed, especially in context of the energy dependence and particle species dependence. New results on local…
We present a detailed and self-contained theoretical study of polarons in two-dimensional (2D) polar materials, which extends the classical macroscopic theory of Fr\"ohlich polarons to the 2D case. The theory is fully determined by…
We discuss electronic properties and their evolution for the linear chain of $H_2$ molecules in the presence of a uniform external force $f$ acting along the chain. The system is described by an extended Hubbard model within a fully…