相关论文: Generalised Marcus Theory for Multi-Molecular Delo…
A general density-matrix formulation of quantum-transport phenomena in semiconductor nanostructures is presented. More specifically, contrary to the conventional single-particle correlation expansion, we shall investigate separately the…
A linear relation for charged-particle emissions is presented starting from the microscopic mechanism of the radioactive decay. It relates the logarithms of the decay half-lives with two variables, called $\chi'$ and $\rho'$, which depend…
We present a very simple model for the study of charge transport in a molecule patterned on B-DNA. In this model we use a discrete non-linear Schr\"{o}dinger equation to describe electrons propagating along the sugar-phosphate backbone of…
In this study, we present a generalized quantum photocell model inspired by biological light-harvesting complexes, designed to probe the influence of donor multiplicity on photovoltaic performance. Building upon earlier two and three-donor…
The catastrophe theory is applied to a nuclear cluster model and an effective model for QCD at low energy. The study of quantum phase transitions in the cluster model was considered in an earlier publication, but restricted to spherical…
Aggregates immersed in a plasma or radiative environment will have charge distributed over their extended surface. Previous studies have modeled the aggregate charge using the monopole and dipole terms of a multipole expansion, with results…
Marcus theory is the workhorse of theoretical chemistry for predicting the rates of charge and energy transfer. Marcus theory overwhelmingly agrees with experiment -- both in terms of electron transfer and triplet energy transfer -- for the…
Multi-core quantum computing architectures offer a promising and scalable solution to the challenges of integrating large number of qubits into existing monolithic chip design. However, the issue of transferring quantum information across…
High charge mobility in active layers of organic electronic devices is often necessary for their efficient operation. As a result, search for high-mobility materials among the plethora of synthesizable organic semiconductors is of paramount…
The molecular polarizability describes the tendency of a molecule to deform or polarize in response to an applied electric field. As such, this quantity governs key intra- and inter-molecular interactions such as induction and dispersion,…
We develop an Over Barrier Model for computing charge exchange between ions and one-active-electron atoms at low impact energies. The main feature of the model is the treatment of the barrier crossing process by the electron within a…
We propose a highly-scalable method to compute the statistics of charge transfer in driven conductors. The framework can be applied in situations of non-zero temperature, strong coupling to terminals and in the presence of non-periodic…
The distribution function of transmitted charge through a double-barrier junction is studied at zero temperature and at small applied voltage. Both a semiclassical model, in which the transport is described by jump rates, and a quantum…
Spin crossover (SCO) complexes are highly promising candidates for a myriad of potential applications in room-temperature electronics; however, as it stands, establishing a clear connection between their spin-state switching and transport…
The linear Boltzmann equation for elastic and/or inelastic scattering is applied to derive the distribution function of a spatially homogeneous system of charged particles spreading in a host medium of two-level atoms and subjected to…
The Coulomb gap in a donor-acceptor model with finite charge transfer energy $\Delta$ describing the electronic system on the dielectric side of the metal-insulator transition is investigated by means of computer simulations on two- and…
We introduce and study the concept of a reversible transfer of the quantum state of two internally-translationally entangled fragments, formed by molecular dissociation, to a photon pair. The transfer is based on intracavity stimulated…
In this work the root to macroscopic quantum effects is revealed based on the quasiparticle model of collective excitations in an arbitrary degenerate electron gas. The $N$-electron quantum system is considered as $N$ streams coupled,…
In the past two decades, many research groups worldwide have tried to understand and categorize simple regimes in the charge transfer of such biological systems as DNA. Theoretically speaking, the lack of exact theories for electron-nuclear…
Models for same-material contact electrification in granular media often rely on a local charge-driving parameter whose spatial variations lead to a stochastic origin for charge exchange. Measuring the charge transfer from individual…