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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…

Materials Science · Physics 2009-11-11 P. H. -L. Sit , Matteo Cococcioni , Nicola Marzari

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,…

Statistical Mechanics · Physics 2022-09-21 Paul C. Bressloff

Reactio-nonlocal diffusion equations model nonlocal transport and anomalous diffusion by replacing the Laplacian with a fractional power, capturing diffusion mechanisms beyond Brownian motion. We primarily study the semilinear problem \[…

Analysis of PDEs · Mathematics 2026-01-30 Pu Yuan , Paul A. Zegeling

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.…

Statistical Mechanics · Physics 2019-02-27 Tadeusz Kosztołowicz

The Dirac equation in (1+1) dimensions with a non-local PT-symmetric potential of separable type is studied by means of the Green function method: properties of bound and scattering states are derived in full detail and numerical results…

Quantum Physics · Physics 2008-11-11 Francesco Cannata , Alberto Ventura

We consider a reaction-diffusion system which may serve as a model for a ferment catalytic reaction in chemistry. The model consists of a system of reaction diffusion equations with unbounded time dependent coefficients and different…

Analysis of PDEs · Mathematics 2022-06-14 Mohamed Majdoub , Nasser-eddine Tatar

We revise the encounter-based approach to imperfect diffusion-controlled reactions, which employs the statistics of encounters between a diffusing particle and the reactive region to implement surface reactions. We extend this approach to…

Statistical Mechanics · Physics 2023-10-03 Denis S. Grebenkov

It has been shown by Yu.~Yaremko [Elect. J. Theor. Phys. {\bf 9}, 153 (2012)] within the classial electrodynamics that the hypothetical massless charged particle must generate an infinitely strong radiation reaction, thus not an external…

High Energy Physics - Theory · Physics 2025-11-25 A. Duviryak

The kinetics of bimolecular reactions in solution depends, among other factors, on intermolecular forces such as steric repulsion or electrostatic interaction. Microscopically, a pair of molecules first has to meet by diffusion before the…

Soft Condensed Matter · Physics 2019-10-24 Manuel Dibak , Christoph Fröhner , Frank Noé , Felix Höfling

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

In this note we study the dynamics of a model recently introduced by one of us, that displays glassy phenomena in absence of energy barriers. Using an adiabatic hypothesis we derive an equation for the evolution of the energy as a function…

Condensed Matter · Physics 2009-10-28 S. Franz , F. Ritort

We consider reaction-diffusion systems where components diffuse inside the domain and react on the surface through mass transport type boundary conditions on an evolving domain. Using Lyapunov functional and duality arguments, we establish…

Analysis of PDEs · Mathematics 2021-02-02 Vandana Sharma , Jyotshana V. Prajapat

In this paper, the looping kinetics of a long polymer chain in solution has been investigated by using two state model, where one state represents open chain polymer molecule and the other represents closed chain polymer molecule. The…

Soft Condensed Matter · Physics 2017-05-24 Moumita Ganguly , Aniruddha Chakraborty

The behavior of the single-species reaction process $A+A\to O$ is examined near an impenetrable boundary, representing the flask containing the reactants. Two types of dynamics are considered for the reactants: diffusive and ballistic…

Statistical Mechanics · Physics 2009-10-31 Y. Kafri , M. J. E. Richardson

In Boundary Element Method, Green's function with no boundary conditions is used for solving Laplace's equation with Dirichlet boundary condition. To determine the gradient of solution on the boundary, we need to solve the boundary integral…

Analysis of PDEs · Mathematics 2011-11-29 Harry Yosh

This chapter aims at emphasizing the crucial role of partial reactivity of a catalytic surface or a target molecule in diffusion-controlled reactions. We discuss various microscopic mechanisms that lead to imperfect reactions, the Robin…

Chemical Physics · Physics 2019-11-05 Denis S. Grebenkov

We establish the existence of solutions to a class of non-linear stochastic differential equation of reaction-diffusion type in an infinite-dimensional space, with diffusion corresponding to a given transition kernel. The solution obtained…

Probability · Mathematics 2021-08-10 Conrado da Costa , Bernardo Freitas Paulo da Costa , Daniel Valesin

We consider holographic theories at finite temperature in which a continuous global symmetry in the bulk is spontaneously broken. We study the linear response of operators in a regime which is dual to time dependent, long wavelength…

High Energy Physics - Theory · Physics 2020-01-08 Aristomenis Donos , Daniel Martin , Christiana Pantelidou , Vaios Ziogas

The spatially-dependent mass Dirac equation is solved exactly for attractive scalar and repulsive vector Coulomb potentials including a tensor interaction potential under the spin and pseudospin (p-spin) symmetric limits by using the…

Mathematical Physics · Physics 2012-12-11 Mahdi Eshghi , Sameer M. Ikhdair

We consider the mixed Steklov-Neumann spectral problem for the modified Helmholtz equation in a bounded domain when the Steklov condition is imposed on a connected subset of the smooth boundary. In order to deduce the asymptotic behavior in…

Computational Physics · Physics 2025-07-22 Denis S. Grebenkov