Related papers: Spectral Functions for the Holstein Model
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…
(Screened) hybrid functionals are being used more and more for solid-state calculations. Usually the fraction alpha of Hartree-Fock exchange is kept fixed during the calculation, however there is no single (universal) value for alpha which…
We construct an effective Hamiltonian of interacting bosons, based on scattered radiation off vibrational modes of designed molecular architectures. Making use of the infinite yet countable set of spatial modes representing the scattering…
A multi-domain spectral method is presented to compute the Hilbert transform on the whole compactified real line, with a special focus on piece-wise analytic functions and functions with algebraic decay towards infinity. Several examples of…
An effective hamiltonian is derived exactly for the one-dimensional periodic Anderson model via a canonical transformation. The canonical transformation has been calculated up to infinite order, thus an exact transformation was performed in…
Numerically "exact" methods addressing the dynamics of coupled electron--phonon systems have been intensively developed. Nevertheless, the corresponding results for the electron mobility $\mu_\mathrm{dc}$ are scarce, even for the…
We present selected results for the Holstein molecular crystal model in one space dimension as determined by the Global-Local variational method, including complete polaron energy bands, ground state energies, and effective masses. We…
This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including…
Using exact diagonalzation techniques, we study a model of interacting electrons and phonons. The spectral width of the phonons is found to be reduced as the Coulomb interaction U is increased. For a system with two modes per site, we find…
We study how phonon structure manifests itself in the electronic density of states of graphene. A procedure for extracting the value of the electron-phonon renormalization $\lambda$ is developed. In addition, we identify direct phonon…
Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, the first-principles calculation of solid-state vibrations,…
Optomechanical structures are well suited to study photon-phonon interactions, and they also turn out to be potential building blocks for phononic circuits and quantum computing. In phononic circuits, in which information is carried and…
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 systematic shifts of the transition frequencies in the molecular hydrogen ions are of relevance to ultra-high-resolution radio-frequency, microwave and optical spectroscopy of these systems, performed in ion traps. We develop the…
A comprehensive picture of polaron and bipolaron physics is essential to understand the optical absorption spectrum in many materials with electron-phonon interactions. In particular, the finite-temperature properties are of interest since…
The thermodynamic and spectral properties of electrons coupled to quantum phonons are studied within the spinless Holstein model. Using quantum Monte Carlo simulations, we obtain accurate results for the specific heat and the…
We study the symmetric Anderson-Holstein (AH) model at zero temperature with Wilson's numerical renormalization group (NRG) technique to study the interplay between the electron-electron and electron-phonon interactions. An improved method…
We study the complete extended Hubbard-Holstein Hamiltonian on a four-site chain with equally spaced sites, with spacing-dependent electronic interaction parameters evaluated in terms of Wannier functions built from Gaussian atomic…
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconducting critical temperatures. The method requires only density…
The existing techniques of account for the phonon dispersion are computationally costly, while its impact on a variety of thermodynamic properties appears negligible. We develop a mathematical formalism, which allows for clear understanding…