Related papers: Charge-memory polaron effect in molecular junction…
Vibrational nonequilibrium effects in charge transport through single-molecule junctions are investigated. Focusing on molecular bridges with multiple electronic states, it is shown that electronic-vibrational coupling triggers a variety of…
The theory of time-dependent quantum transport addresses the question: How do electrons flow through a junction under the influence of an external perturbation as time goes by? In this paper, we invert this question and search for a…
A non-empirical exchange functional based on an interpolation between two limits of electron density: slowly varying limit and asymptotic limit, is proposed. In the slowly varying limit, we follow the study by Kleinman in 1984 which…
Measuring Compton scattered photons and recoil neutrons in coincidence, quasi-free Compton scattering by the neutron has been investigated at MAMI (Mainz) at $theta^{lab}_\gamma=136^o$ in an energy range from 200 to 400 MeV. From the data a…
We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…
Previous study of properties of the first-order phase transition in a set of plasma mod-els with common feature - absence of individual correlations between charges of opposite sign, was continued. Predicted discontinuities in equilibrium…
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…
The inelastic scattering of electrons which carry current through a single-molecule junction is modeled by a quantum dot, coupled to electron reservoirs via two leads. When the electron is on the dot, it is coupled to a single harmonic…
We present numerical studies of the transport dynamics of a charged soliton in conjugated polymers under the influence of an external time-dependent electric field. All relevant electron-phonon and electron-electron interactions are nearly…
We present a simple model of electrical transport through a metal-molecule-metal nanojunction that includes charging effects as well as aspects of the electronic structure of the molecule. The interplay of a large charging energy and an…
We show that individual vibrational modes in single-molecule junctions with asymmetric molecule-lead coupling can be selectively excited by applying an external bias voltage. Thereby, a non-statistical distribution of vibrational energy can…
We demonstrate that charge separation at donor-acceptor interfaces is a complex process that is controlled by the combined action of Coulomb binding for electron-hole pairs and partial relaxation due to quantized phonons. A joint…
The linear transport properties of a model molecular transistor with electron-electron and electron-phonon interactions were investigated analytically and numerically. The model takes into account phonon modulation of the electronic energy…
We investigate the Charge-Charge Correlation (QQC) in electron-positron annihilation as a probe of charge dynamics in Quantum Chromodynamics. While generally divergent beyond leading order, we show that the QQC is infrared and collinear…
We study how a charged particle moving in a uniform magnetic field along its standard circular path (cyclotron motion) reacts to a short-duration, homogeneous, uniform electric field pulse injected in the plane perpendicular to the magnetic…
A key to achieving ultra-long electron spin memory in quantum dots (QDs) at 0~$T$ is the polarization of the nuclei, such that the electron spin is stabilized along the nuclear magnetic field. We demonstrate that spin-polarized electrons in…
Strong quantum zero-point motion (ZPM) of light nuclei and other particles is a crucial aspect of many state-of-the-art quantum materials. However, it has only recently begun to be explored from an $\textit{ab initio}$ perspective, through…
Quasi-forbidden electronic transitions in atoms and quasi-degenerate vibronic transitions in molecules serve as powerful probes of hypothetical temporal variations of fundamental constants. Computation of the sensitivity of a transition to…
We use the recently proposed scattering states numerical renormalization group (SNRG) approach to calculate $I(V)$ and the differential conductance through a single molecular level coupled to a local molecular phonon. We also discuss the…
The concept of magnetic polaron is analysed and developed to elucidate the nature of itinerant charge carrier states in magnetic semiconductors and similar complex magnetic materials. By contrasting the scattering and bound states of…