Related papers: Coherent Electron Transfer in Polyacetylene

In this paper we calculate and visualize the dynamics of an ensemble of electrons trapping in an electrostatic wave of slowly increasing amplitude, illustrating that, despite disordering of particles in angle during the trapping transition…

Characterization of the structural and electron transport properties of single chiral molecules provides critical insights into the interplay between their electronic structure and electrochemical environments, providing broader…

A systematic method to account for electron correlation in periodic systems which can predict quantitatively correct band structures of non-conducting solids from first principles is presented. Using localized Hartree-Fock orbitals (both…

We examine the two-photon exchange corrections to elastic electron-proton scattering within a dispersive approach, including contributions from both Nucleon and Delta intermediate states. The dispersive analysis avoids off-shell…

We study theoretically the possibilities of coupling the quantum mechanical motion of a trapped charged particle (e.g. ion or electron) to quantum degrees of freedom of superconducting devices, nano-mechanical resonators and quartz bulk…

We present a novel {\em ab initio} approach for computing intramolecular charge and energy transfer rates based upon a projection operator scheme that parses out specific internal nuclear motions that accompany the electronic transition.…

We study nonadiabatic electron transfer within the biased spin-boson model. We calculate the incoherent transfer rate in analytic form at all temperatures for a power law form of the spectral density of the solvent coupling. In the Ohmic…

Data for inelastic processes due to hydrogen atom collisions with iron are needed for accurate modelling of the iron spectrum in late-type stars. Excitation and charge transfer in low-energy Fe+H collisions is studied theoretically using a…

We discuss the electronic transport through molecules in the Kondo regime. We concentrate here on the influence of molecular vibrations. Two types of vibrations are investigated: (i) the breathing internal molecular modes, where the…

Ionically-conducting plastic crystals are possible candidates for solid-state electrolytes in energy-storage devices. Interestingly, the admixture of larger molecules to the most prominent molecular PC electrolyte, succinonitrile, was shown…

Inelastic transport of electrons through a two-impurity chain is studied theoretically with account of intersite Coulomb interaction, U. Both limits of ohmic transport (at low bias) and strongly non-ohmic transport (at high bias) are…

The correlated motion of electrons in a one dimensional system with an externally applied longitudinal electric field is discussed. Within the tight binding model we show that in addition to the well known Bloch oscillations the…

The electron-photon interaction in 2D materials obeys the rule of electron valley-photon polarization correspondence. At the quantum level, such correspondence can be utilized to entangle valleys and polarizations and attain the transfer of…

Using a combination of high-level ab initio electronic structure methods with efficient on-the-fly semiclassical evaluation of nuclear dynamics, we performed a massive scan of small polyatomic molecules searching for a long lasting…

We inspect the first-order electron-electron capture scenario for transfer ionization that has been recently formulated by Voitkiv et al. (Phys. Rev. A 86, 012709 (2012) and references therein). Using the multichannel scattering theory for…

We implement a two-qubit entangling M{\o}lmer-S{\o}rensen interaction by transporting two co-trapped $^{40}\mathrm{Ca}^{+}$ ions through a stationary, bichromatic optical beam within a surface-electrode Paul trap. We describe a procedure…

Here we report an observation of cation-dependent nonadiabaticity in a proton-coupled electron transfer electrode process (PCET) during hydrogen evolution at electrified interfaces of Au(111) single-crystal electrode and electrolytes by…

We measure hole transport in poly(3-hexylthiophene) field effect transistors with channel lengths from 3 $\mu$m down to 200 nm, from room temperature down to 10 K. Near room temperature effective mobilities inferred from linear regime…

Electronic decoherence processes in trans-polyacetylene oligomers are considered by explicitly computing the time dependent molecular polarization from the coupled dynamics of electronic and vibrational degrees of freedom in a mean-field…

We consider a one-dimensional system of electrons interacting via a short-range repulsion and coupled to phonons close to the metal-insulator transition at half filling. We argue that the metal-insulator transition can be described as a…