Related papers: Long Range Electron Transfer Reactions: An Analyti…
We propose a new method for finding the exact analytical solution in Laplace domain for the problem where the probability density of a random walker in a piece-wise linear potential in presence of a rectangular sink of arbitrary width and…
In this paper we develop a hybrid version of the encounter-based approach to diffusion-mediated absorption at a reactive surface, which takes into account stochastic switching of a diffusing particle's conformational state. For simplicity,…
Understanding electron correlation requires solving inseparable Schrodinger equation. In general, inseparable Schr\"odinger equations cannot be solved analytically. So their solutions are obtained numerically. In this paper we investigate…
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…
We derive an explict bias dependent expression for electron transfer reaction rate from a solvated redox to a electrode through a bridged molecule of arbitrary length. The interaction of the solvated redox with the solvent is modelled as a…
We present a real-time path integral theory for the rate of electron transfer reactions. Using graph theoretic techniques, the dynamics is expressed in a formally exact way as a set of integral equations. With a simple approximation for the…
Systems switching between different dynamical phases is an ubiquitous phenomenon. The general understanding of such a process is limited. To this end, we present a general expression that captures fluctuations of a system exhibiting a…
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…
We consider heat transfer in one-dimensional systems with long-range interactions. It is known that typical short-range interacting systems shows anomalous behavior in heat transport when total momentum is conserved, whereas…
We study reversible deterministic dynamics of classical charged particles on a lattice with hard-core interaction. It is rigorously shown that the system exhibits three types of transport phenomena, ranging from ballistic, through diffusive…
We consider electron transfer from a redox to an electrode through and adsorbed intermediate. The formalism is developed to cover all regimes of coverage factor, from lone adsorbate to monolayer regime. The randomness in the distribution of…
We consider a particle undergoing diffusion with stochastic resetting in a bounded domain $\calU\subset \R^d$ for $d=2,3$. The domain is perforated by a set of partially absorbing targets within which the particle may be absorbed at a rate…
The behaviour is investigated of solutions to a diffusion equation on the real line with nonlocal and singular reaction term, i.e., given by a Dirac source or sink at the origin. It gives a simplified representation of for example a control…
We use a numerically exact real-time path integral Monte Carlo scheme to compute electron transfer dynamics between two redox sites within a spin-boson approach. The case of asymmetric reactions is studied in detail in the least understood…
We consider the transmission problem for the Laplace equation on an infinite three-dimensional wedge, determining the complex parameters for which the problem is well-posed, and characterizing the infinite multiplicity nature of the…
Molecular dynamics simulations are used to study the mechanism and kinetics of hydrated electron diffusion. The electron center of mass is found to exhibit Brownian-type behavior with a diffusion coefficient considerably greater than that…
Using the operator representation of the Dirac Coulomb Green function the analytical method in perturbation theory is employed in obtaining solutions of the Dirac equation for a hydrogen-like atom in a time-dependent electric field. The…
Charge transfer is a fundamental process that underlies a multitude of phenomena in chemistry and biology. Recent advances in observing and manipulating charge and heat transport at the nanoscale, and recently developed techniques for…
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…
Using Green's function equation of motion within Lacroix decoupling scheme, we examine the thermoelectric transport features of a strongly interacting quantum dot coupled between metallic leads. We demonstrate that a qualitative description…