Related papers: Multi-Channel Electron Transfer Reactions: An Anal…
We present the model of a diffusion-absorption process in a system which consists of two media separated by a thin partially permeable membrane. The kind of diffusion as well as the parameters of the process may be different in both media.…
In a recent letter [Phys. Rev. Lett. 131, 216401] we presented the multichannel Dyson equation (MCDE) in which two or more many-body Green's functions are coupled. In this work we will give further details of the MCDE approach. In…
Experimental measurements of electron transport properties of molecular junctions are often performed in solvents. Solvent-molecule coupling and physical properties of the solvent can be used as the external stimulus to control electric…
A transfer matrix method is presented for solving the scattering problem for the quasi one-dimensional massless Dirac equation applied to graphene in the presence of an arbitrary inhomogeneous electric and perpendicular magnetic field. It…
In this work, we study the scattering problem of the general nonlinear finitely many Dirac delta potentials with complex coupling constants (or opacities in the context of optics) using the Green's function method and then find the bound…
The current study extends previous analytical and numerical solutions of chronopotentiometric response of one-dimensional systems consisting of three layers to the more realistic two-dimensional heterogeneous ion-permselective medium. An…
Consider the interior transmission problem arising in inverse boundary value problems for the diffusion equation with discontinuous diffusion coefficients. We prove the unique solvability of the interior transmission problem by constructing…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the…
Diffusion in heterogeneous energy and diffusivity landscapes is widespread in biological systems. However, solving the Langevin equation in such environments introduces ambiguity due to the interpretation parameter $\alpha$, which depends…
We present a method which uses density functional theory (DFT) to treat transport through a single molecule connected to two conducting leads for the weak and intermediate coupling. This case is not accessible to standard non-equilibrium…
We investigate heavy-ion multinucleon transfer reactions using the coupled-channels formalism. We first use the semi-classical approximation and show that a direct coupling between the entrance and the pair transfer channels improves a fit…
A transferable potential energy function for describing the interaction between water molecules is presented. The electrostatic interaction is described rigorously using a multipole expansion. Only one expansion center is used per molecule…
Within the scope of the relativistic quantum theory for electron-laser interaction in a medium and using the resonant approximation for the two degenerated states of an electron in a monochromatic radiation field [1] a nonperturbative…
We study a moving adsorbate interacting with a metal electrode immersed in a solvent using the time-dependent Newns-Anderson-Schmickler model Hamiltonian. We have adopted a semiclassical trajectory treatment of the adsorbate to discuss the…
We present theoretical models for the time-dependent voltage of an electrochemical cell in response to a current step, including effects of diffuse charge (or "space charge") near the electrodes on Faradaic reaction kinetics. The full model…
Subdiffusion with reaction $A+B\rightarrow B$ is considered in a system which consists of two homogeneous media joined together; the $A$ particles are mobile whereas $B$ are static. Subdiffusion and reaction parameters, which are assumed to…
Energy density and energy flux was introduced along Takesue's method. Particle energies were localized at particle positions using Dirac delta function. The energy density was connected with the energy flux by continuity equation. New…
One propose a relativistic version of the transfer matrix method for an electron moving through a given number of rectangular barriers of arbitrary shape. It is shown that starting with the Dirac equation depending on the effective mass and…
Consider the overdamped limit for a system of interacting particles in the presence of hydrodynamic interactions. For two-body hydrodynamic interactions and one- and two-body potentials, a Smoluchowski-type evolution equation is rigorously…
We present the multi-channel Dyson equation that combines two or more many-body Green's functions to describe the electronic structure of materials. In this work we use it to model photoemission spectra by coupling the one-body Green's…