Related papers: Dynamics of Davydov Ansatze
We present a theoretical study of superconductivity of polarons in the Hubbard-Holstein model. A residual kinematic interaction proportional to the square of the polaron hopping energy between polarons and phonons provides a pairing field…
We introduce a new type of Gutzwiller variational wavefunction for correlated electrons coupled to phonons, able to treat on equal footing electronic and lattice degrees of freedom. We benchmark the wavefunction in the infinite-$U$…
We consider a system consists of a doped monolayer phosphorene embedded between two hexagonal Boron Nitride (hBN) slabs along the heterostructure direction. The wavevector azimuthal angle dependence of the plasmon-polariton and…
Following the ideas of Davydov's soliton theory, we study the bio-energy transport in protein molecules. By using a quantum Brownian motion model for a phonon dressed vibrational exciton, we calculate the time-dependence on the mean square…
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 dynamical interplay between electron-electron interactions and electron-phonon coupling is investigated within the Anderson-Holstein model, a minimal model for open quantum systems that embody these effects. The influence of phonons on…
Electron-phonon ($e$-ph) interactions are key to understanding the dynamics of electrons in materials, and can be modeled accurately from first-principles. However, when electrons and holes form Coulomb-bound states (excitons), quantifying…
We use the dynamical mean field theory to develop a systematic and computationally tractable method for studying electron-phonon interactions in systems with arbitrary electronic correlations. The method is formulated as an adiabatic…
Calculations combining first-principles electron-phonon ($e$-ph) interactions with the Boltzmann equation enable studies of ultrafast carrier and phonon dynamics. However, in materials with weak Coulomb screening, electrons and holes form…
We use a recently developed formalism (combining an adiabatic expansion and dynamical mean-field theory) to obtain expressions for isotope effects on electronic properties in correlated systems. As an example we calculate the isotope effect…
A condensate of pairs in an isolated, homogeneous, unpolarised, finite-size spin 1/2 Fermi gas at low nonzero temperature T, undergoes with time a phase change with a random component, due to coupling to the gas thermal phonons. With 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…
Rotational and electromagnetic properties of the yrast band in $^{102}$Pd are analyzed in terms of a phenomenological phonon model that includes anharmonic terms. Both the moment of inertia and $B(E2)$'s are well reproduced by the model,…
We study how polaronic states form as a function of time due to strong electron-phonon coupling, starting from a hot electron distribution which is representative of a photo-induced metallic state immediately after laser excitation. For…
The exciton dispersion is examined in the case of four selected prototypical molecular solids: pentacene,tetracene,picene,chrysene. The model parameters are determined by fitting to experimental data obtained by inelastic electron…
The two-site single-polaron problem is studied within the perturbative expansions using different standard phonon basis obtained through the Lang Firsov (LF), modified LF (MLF) and modified LF transformation with squeezed phonon states…
Exciton formation leads to J-bands in solid pentacene. Describing these exciton bands represents a challenge for both time-dependent (TD) density-functional theory (DFT) and for its semiempirical analogue, namely for TD density-functional…
We present exact results for the optical response in the one-dimensional Holstein model. In particular, by means of a refined kernel polynomial method, we calculate the ac and dc electrical conductivities at finite temperatures for a wide…
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 developed a new method based on functional integration to treat the dynamics of polarons in one-dimensional systems. We treat the acoustical and the optical case in an unified manner, showing their differences and similarities. The…