相关论文: Polaron dynamics with off-diagonal coupling: beyon…
We propose a macroscopic theory of optical phonons, Fr{\"o}hlich polarons, and exciton-polarons in two-dimensional (2D) polar crystalline monolayers. Our theory extends the classical macroscopic formulation of the electron-phonon problem in…
The Ehrenfest dynamics, representing a quantum-classical mean-field type coupling, is a widely used approximation in quantum molecular dynamics. In this paper, we propose a time-splitting method for an Ehrenfest dynamics, in the form of a…
We consider systems of particles hopping stochastically on $d$-dimensional lattices with space-dependent probabilities. We map the master equation onto an evolution equation in a Fock space where the dynamics are given by a quantum…
We study the Hamiltonian dynamics of a free particle injected onto a chain containing a periodic array of harmonic oscillators in thermal equilibrium. The particle interacts locally with each oscillator, with an interaction that is linear…
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…
The current work presents a new single-reference method for capturing at the same time the static and dynamic electron correlation. The starting-point is a determinant wavefunction formed with natural orbitals obtained from a new…
Exciton problem is solved in the two-dimensional Dirac model with allowance for strong electron-hole attraction. The exciton binding energy is assumed smaller than but comparable to the band gap. The exciton wavefunction is found in the…
We consider a polaron model where molecular \emph{rotations} are important. Here, the usual hopping between neighboring sites is affected directly by the electron-phonon interaction via a {\em twist-dependent} hopping amplitude. This model…
We construct a many-body model Hamiltonian to capture how phonons renormalize exciton binding as a function of temperature. By using the GW approximation and density functional perturbation theory, we are able to parameterize this…
By using a simulated annealing approach, Monte Carlo and molecular-dynamics techniques we have studied static and dynamic behavior of the classical two-dimensional anisotropic Heisenberg model. We have obtained numerically that the vortex…
Twisted transition metal dichalcogenides (TMDs) present an intriguing platform for exploring excitons and their transport properties. By introducing a twist angle, a moir\'e superlattice forms, providing a spatially dependent exciton energy…
The exciton relaxation dynamics of photoexcited electronic states in poly($p$-phenylenevinylene) (PPV) are theoretically investigated within a coarse-grained model, in which both the exciton and nuclear degrees of freedom are treated…
Small polaron formation in transition metal oxides, like the prototypical material rutile TiO$_2$, remains a puzzle and a challenge to simple theoretical treatment. In our combined experimental and theoretical study, we examine this problem…
Motivated by the experiment of electrostatic conveyor belt for indirect excitons [A. G. Winbow, \textit{et al.}, Phys. Rev. Lett. \textbf{106}, 196806 (2011)], we study the exciton patterns for understanding the exciton dynamics. By…
In this work, the memory equation approach is applied for theoretical study of dynamics of polar molecular liquids described by the interaction site model. The study includes the temperature-density(pressure) dependence of the translational…
We enlarge our results from the study of the hopping mechanism of the oscillation excitation transport in 1D model of one biology-like macromolecular chain to the case of a system composed from two 1D parallel macromolecular chains with…
Anharmonic inter-atomic potential x to power of n, n>1, has been used in molecular dynamics (MD) simulations of stress dynamics of FCC oriented crystal. The model of the chain of masses and springs is found as a convenient and accurate…
The phenomenon of coherent energetic pulse propagation in exciton-phonon molecular chains such as $\alpha$-helix protein is studied using an ODE system model of Davydov-Scott type, both with numerical studies using a new unconditionally…
We report on the anharmonic signatures in dissipative polaritons' stationary energy distribution and thermodynamics under external periodic driving. First, we introduce a dynamic model for the dissipative anharmonic Jaynes-Cummings…
We present a unified and nonperturbative method for calculating spectral and transport properties of Hamiltonians with simultaneous Holstein (diagonal) and Peierls (off-diagonal) electron-phonon coupling. Our approach is motivated by the…