Related papers: Ion Solvation in Dipolar Poisson models in a dual …
Electrostatic correlations and variable permittivity of electrolytes are essential for exploring many chemical and physical properties of interfaces in aqueous solutions. We propose a continuum electrostatic model for the treatment of these…
A model for ionic solutions with an attractive short-range pair interaction between the ions is presented. The short-range interaction is accounted for by adding a quadratic non-local term to the Poisson-Boltzmann free energy. The model is…
Semi-Lagrangian methods have traditionally been developed in the framework of hyperbolic equations, but several extensions of the Semi-Lagrangian approach to diffusion and advection--diffusion problems have been proposed recently. These…
The dynamics of the electrons for a molecule in solution is coupled to the dynamics of its polarizable environment, i.e., the solvent. To theoretically investigate such electronic dynamics, we have recently developed equations of motion…
We consider the Vlasov-Poisson system with initial data a small, radial, absolutely continuous perturbation of a point charge. We show that the solution is global and disperses to infinity via a modified scattering along trajectories of the…
Polar crystal surfaces play an important role in the functionality of many materials, and have been studied extensively over many decades. In this article, a theoretical framework is presented that extends existing theories by placing the…
In ionic solutions, there are multi-species charged particles (ions) with different properties like mass, charge etc. Macroscopic continuum models like the Poisson-Nernst-Planck (PNP) systems have been extensively used to describe the…
Compressible Euler-Poisson equations are the standard self-gravitating models for stellar dynamics in classical astrophysics. In this article, we construct periodic solutions to the isothermal ($\gamma=1$) Euler-Poisson equations in $R^{2}$…
Ionic crystals play a central role in functional applications. Mesoscale descriptions of these crystals are based on the continuum polarization density field to represent the effective physics of charge distribution at the scale of the…
The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…
We compare standard perturbation theory with the polaron transformation for non-linear transport of electrons through a two-level system. For weak electron-phonon coupling and large bias, there is good agreement between both approaches.…
Simulations of the generation of the atomic polarization is necessary for interpreting the second solar spectrum. For this purpose, it is important to rigorously determine the effects of the isotropic collisions with neutral hydrogen on the…
Classical theory of the electric double layer is based on the fundamental assumption of a dilute solution of point ions. There are a number of situations such as high applied voltages, high concentration of electrolytes, systems with…
The angular distribution of the emitted electrons, following the two--photon ionization of the hydrogen--like ions, is studied within the framework of second order perturbation theory \textit{and} the Dirac equation. Using a density matrix…
We study a two-dimensional fluid of dipolar hard disks by Monte Carlo simulations in a square with periodic boundary conditions and on the surface of a sphere. The theory of the dielectric constant and the asymptotic behaviour of the…
The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps to understand the connection between the dielectric properties and the underlying forces. We present a simple linear-response model of…
The study of the electrical double layer lies at the heart of colloidal and interfacial science. The standard mean-field Poisson-Boltzmann (PB) theory is incapable of modeling many phenomena originated from ion correlation. An important…
The two-photon decay in hydrogen-like ions is investigated within the framework of second order perturbation theory and Dirac's relativistic equation. Special attention is paid to the angular correlation of the emitted photons as well as to…
We perform a linearization of the Poisson-Boltzmann (PB) density functional for spherical Wigner-Seitz cells that yields Debye-H\"uckel-like equations agreeing asymptotically with the PB results in the weak-coupling (high-temperature)…
We present a one-parameter family of mathematical models describing the dynamics of polarons in linear periodic structures such as polypeptides. By tuning the parameter, we are able to recover the Davydov and the Scott models. We describe…