Related papers: Vibration-induced correction to the current throug…

A theoretical framework is presented for the computation of rovibrational polaritonic states of a molecule in a lossless infrared (IR) microcavity. In the proposed approach the quantum treatment of the rotational and vibrational motion of…

The article is devoted to the investigation of the nonlinear effects in a system of the coupled longitudinal-torsional parametric vibrations of a rotating rod. Constructed and investigated mathematical model, based on which we calculated…

The interaction between electronic and vibrational degrees of freedom in single-molecule junctions may result from the dependence of the electronic energies or the electronic states of the molecular bridge on the nuclear displacement. The…

We study the damping of molecular vibrations due to electron-hole pair excitations in donor-acceptor(D-A) type molecular rectifiers. At finite voltage additional non-equilibrium electron-hole pair excitations involving both electrodes…

This study focuses on extending the concept of weak signal enhancement from dynamical systems based on vibrational resonance of nonlinear systems, to non-smooth systems. A Van der Pol- Duffing oscillator with a one-sided barrier, subjected…

We present an ab-initio method to simulate the current noise in the presence of electron-vibration interactions in atomic and molecular junctions at finite temperature. Using a combination of nonequilibrium Keldysh Green's function…

We investigate full quantum mechanical evolution of two electrons nonlinearly coupled to quantum phonons and simulate the dynamical response of the system subject to a short spatially uniform optical pulse that couples to dipole-active…

Optical analogues of coherent vibrational phenomena in molecules, such as light-induced molecular stabilization and wave packet dynamics at a potential crossing, are proposed for light beams in coupled slab waveguides.

We present an accurate theoretical determination of rovibrational energy levels of the hydrogen molecule and its isotopologues in its electronic ground state. We consider all significant corrections to the Born-Oppenheimer approximation,…

Vibrational resonance amplifies a weak low-frequency signal by use of an additional non-resonant high-frequency modulation. The realization of weak signal enhancement in integrated nonlinear optical nanocavities is of great interest for…

We introduce a variational wave-function to study the polaron formation when the electronic transfer integral depends on the relative displacement between nearest-neighbor sites giving rise to a non-local electron-phonon coupling with…

We investigate the origin of asymmetry in the measured current-voltage (I-V) characteristics of molecules with no inherent spatial asymmetry. We establish that such molecules can exhibit asymmetric I-V characteristics due to unequal…

We theoretically investigate inelastic transport through anisotropic magnetic molecules weakly coupled to one ferromagnetic and one nonmagnetic lead. We find that the current is suppressed over wide voltage ranges due to spin blockade. In…

We present a computational protocol, based on density matrix perturbation theory, to obtain non-adiabatic, frequency-dependent electron-phonon self-energies for molecules and solids. Our approach enables the evaluation of electron-phonon…

In a molecule subjected to no external fields, motion of nuclei is governed by a function V of nuclear coordinates. This function (potential energy) is a sum of two terms: Coulomb repulsion between nuclei and the electronic effective…

Graphene electrodes are promising candidates to improve reproducibility and stability in molecular electronics through new electrode-molecule anchoring strategies. Here we report sequential electron transport in few-layer graphene…

In this work, we systematically investigate the spectral and transport properties of exciton-polaritons under the explicit influence of intermolecular vibrational coupling, which introduces dynamic disorder. In the context of a…

We analyze the interplay between vibrational and electronic degrees of freedom in charge transport across a molecular single-electron transistor. We focus on the wide class of molecules which possess quasi-degenerate vibrational…

By making use of the quantization rule of Raab and Friedrich [P. Raab and H. Friedrich, Phys. Rev. A 78, 022707 (2008)], we derive simple and accurate formulae for the number of rotational states supported by a weakly-bound vibrational…

Variational wave function is proposed to describe electronic properties of an array of one-dimensional conductors coupled by transverse hopping and interaction. For weak or intermediate in-chain interaction the wave function has the…