Related papers: Perturbative expansion using variational phonon ba…
We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein…
We present a perturbative method for calculating phonon properties of an insulator in the presence of a finite electric field. The starting point is a variational total-energy functional with a field-coupling term that represents the effect…
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 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…
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…
We study the isotope effects arising from the coupling of correlated electrons with dispersionless phonons by considering the Hubbard-Holstein model at half-filling within the dynamical mean-field theory. In particular we calculate the…
Taking the same trial wave function, the ground-state energy of Fr\"{o}hlich polaron is investigated by variational method and coherent-state expansion (CSE) one, respectively. Within the accuracy to $\alpha^{2}$(the electron-phonon…
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…
The extended Hubbard Hamiltonian is a widely accepted model for uncovering the effects of strong correlations on the phase diagram of low-dimensional systems, and a variety of theoretical techniques have been applied to it. In this paper…
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…
Merrifield's Variational Ansatz is extended so as to cover the case of two electronic bands mixed by an Einstein phonon. The Hamiltonian is composed of the local and kinetic (hopping) energies in the absence of vibrations, the vibrational…
The one-electron spectral function of the Holstein-Hubbard bipolaron in one dimension is studied using cluster perturbation theory together with the Lanczos method. In contrast to other approaches, this allows one to calculate the spectrum…
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…
Dynamical mean-field theory computations of the electron self energy of the Hubbard-Holstein model as a function of electron-phonon and electron-electron interactions are analyzed to gain insight into the dependence of electron-phonon…
We investigate the low-energy properties of the Holstein polaron through calculation of the q-dependent phonon spectral function using an improved exact-diagonalization technique, defined over a variational Hilbert space. We perform a…
We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very…
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 investigate Machine-Learned Force Fields (MLFFs) trained on approximate Density Functional Theory (DFT) and Coupled Cluster (CC) level potential energy surfaces for the carbon diamond and lithium hydride solids. We assess the accuracy…
We study the one-dimensional Holstein model of spinless fermions interacting with dispersion-less phonons by using a recently developed projector-based renormalization method (PRM). At half-filling the system shows a metal-insulator…
Phonons are quantized vibrations of a crystal lattice that play a crucial role in understanding many properties of solids. Density functional theory (DFT) provides a state-of-the-art computational approach to lattice vibrations from…