Related papers: Mellin Transform and Image Charge Method for Diele…
The Poisson-Boltzmann (PB) theory is widely used to depict ionic systems. As a mean-field theory, the PB theory neglects the correlation effect in the ionic atmosphere and leads to deviations from experimental results as the concentration…
Accurate calculation of electrostatic potential and gradient on the molecular surface is highly desirable for the continuum and hybrid modeling of large scale deformation of biomolecules in solvent. In this article a new numerical method is…
We describe a generic mechanism by which a system of Dirac fermions in thermal equilibrium acquires electric charge in an external magnetic field. To this end the fermions should have an additional quantum number, isospin or color, and…
A modified Poisson-Nernst-Planck system in a bounded domain with mixed Dirichlet-Neumann boundary conditions is analyzed. It describes the concentrations of ions immersed in a polar solvent and the correlated electric potential due to the…
In the classical model of atomic polarizability, atomic charges are displaced by an applied electric field, assuming the electron cloud remains spherically symmetric but with its center shifted from the nucleus, thereby inducing an electric…
We consider a set of identical mobile point-like charges (counter-ions) confined to a domain with curved hard walls carrying a uniform fixed surface charge density, the system as a whole being electroneutral. Three domain geometries are…
We outline a formalism and develop a computational procedure to treat the process of multiphoton ionization (MPI) of atomic targets in strong laser fields. We treat the MPI process nonperturbatively as a decay phenomenon by solving a…
A point charge between the plates of a capacitor generates an influence charge distribution on the plates that modify the electric field acting upon the point charge. This effect is described by the well-known Dirichlet Green's function for…
We have directly observed reversal of the polarity of charged surfaces in water upon the addition of tri- and quadrivalent ions using atomic force microscopy. The bulk concentration of multivalent ions at which charge inversion reversibly…
We present an implementation of range separated functionals utilizing the Slater-function on grids in real space in the projector augmented waves method. The screened Poisson equation is solved to evaluate the necessary screened exchange…
We develop an immersed-boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a…
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…
The size-modified Poisson-Boltzmann (MPB) equation is an efficient implicit solvation model which also captures electrolytic solvent effects. It combines an account of the dielectric solvent response with a mean-field description of…
Detailed deducing of formulas for longitudinal electric conductivity and dielectric permeability in the quantum degenerate collisional plasma with constant collision frequency in Mermin' approach is given. The kinetic…
It is widely accepted that the Poisson-Boltzmann (PB) theory provides a valid description for charged surfaces in the so-called weak coupling limit. Here, we show that the image charge repulsion creates a depletion boundary layer that…
We present a model for the ion distribution near a charged surface, based on the response of the ions to the presence of a single test particle. Near an infinite planar surface this model produces the exact density profile in the limits of…
Liquid hydrocarbons are often modeled with fixed, symmetric, atom-centered charge distributions and Lennard-Jones interaction potentials that reproduce many properties of the bulk liquid. While useful for a wide variety of applications,…
The application of the Lorentz integral transform (LIT) method to photon scattering off nuclei is presented in general. As an example, elastic photon scattering off the deuteron in the unretarded dipole approximation is considered using the…
A new class of exact solutions of the Einstein-Maxwell system is found in closed form. This is achieved by choosing a generalised form for one of the gravitational potentials and a particular form for the electric field intensity. For…
We consider a nonlinear drift-diffusion system for multiple charged species in a porous medium in 2D and 3D with periodic microstructure. The system consists of a transport equation for the concentration of the species and Poisson's…