Related papers: Dynamics of Davydov Ansatze
We investigate the orbital effects of strong external magnetic field on the ground state properties of a two dimensional holstein polaron, employing variational approaches based on the exact diagonalization (VAED). From the ground state…
We investigate the scattering of an electron by phonons in a small structure between two one-dimensional tight-binding leads. This model mimics the quantum electron transport through atomic wires or molecular junctions coupled to metallic…
Electron-positron interactions have been utilized in various fields of science. Here we develop time-dependent multi-component density functional theory to study the coupled electron-positron dynamics from first principles. We prove that…
The electron-phonon (e-ph) interaction remains of great interest in condensed matter physics and plays a vital role in realizing superconductors, charge-density-waves (CDW), and polarons. We study the two-dimensional Holstein model for e-ph…
We present a method for simulating the time evolution of one-dimensional correlated electron-phonon systems which combines the time-evolving block decimation algorithm with a dynamical optimization of the local basis. This approach can…
We developed a lattice dynamical theory of an atomically-thin compressional piezoelectric resonator. Acoustic and optical dynamic displacement response functions are derived and account for frequency-dependent electromechanical coupling.…
The time-dependent Dirac equation is solved using the three-dimensional Finite Difference-Time Domain (FDTD) method. The dynamics of the electron wave packet in a vector potential is studied in the arrangements associated with the…
Self-assembled supramolecular aggregates are excellent candidates for the design of efficient excitation transport devices. Both artificially prepared and natural photosynthetic aggregates in plants and bacteria present an important degree…
We investigate the dynamical structure factor associated with lattice fluctuations in a model that approximates the manganites. It involves electrons strongly coupled to core spins, and to lattice distortions, in a weakly disordered…
Polaronic effects are investigated in the two dimensional t--J model (describing Cu spins and holes of the planes in high-$T_c$ cuprates) in the presence of in-plane dynamic oxygen breathing modes. We focus on the effect of dynamic…
A novel type of exciton-phonon bound state -- interlayer polaron -- in a double-layer two-dimensional semiconductor with transition metal dichalcogenides as an example, is predicted. In these systems the interaction of the interlayer…
We present numerical exact results for the polaronic band structure of the Holstein molecular crystal model in one and two dimensions. The use of direct Lanczos diagonalization technique, preserving the full dynamics and quantum nature of…
Due to the dispersion of optical phonons, long range electron-phonon correlations renormalize downwards the coupling strength in the Holstein model. We evaluate the size of this effect both in a linear chain and in a square lattice for a…
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…
While polarons --- charges bound to a lattice deformation induced by electron-phonon coupling --- are primary photoexcitations at room temperature in bulk metal-halide hybrid organic-inorganic perovskites (HOIP), excitons --- Coulomb-bound…
The vibron dynamics associated to amide-I vibrations in a 3D alpha-helix is described according to a generalized Davydov model. The helix is modeled by three spines of hydrogen-bonded peptide units linked via covalent bonds. To remove the…
The ground state and finite temperature properties of polarons are studied considering a two-site and a four-site Holstein model by exact diagonalization of the Hamiltonian. The kinetic energy, Drude weight, correlation functions involving…
We derive an effective polaronic interaction Hamiltonian, {\it exact to second order in perturbation}, for the spinless one-dimensional Holstein model. The small parameter is given by the ratio of the hopping term ($t$) to the polaronic…
Employing a largely unbiased variational exact diagonalization technique, we analyze the consequences of longer-ranged electron hopping and electron-phonon interaction on polaron formation in one dimension. Having at our disposal the…
On the basis of the two-site polaron problem, which we solve by exact diagonalization, we analyse the spectral properties of polaronic systems in view of discerning localized from itinerant polarons and bound polaron pairs from an ensemble…