Related papers: Accurate and Efficient Numerical Simulation of Die…
Starting from the random phase approximation for the weakly coupled multiband tightly-bounded electron systems, we calculate the dielectric matrix in terms of intraband and interband transitions. The advantages of this representation with…
Complete control of electromagnetic fields requires particles that exhibit bianisotropic constituent parameters (i.e. permittivity, permeability, and chirality). Here, methods to analyze and synthesize two-dimensional, bianisotropic…
We have studied the multipole polarizability of a graded spherical particle in a nonuniform electric field, in which the conductivity can vary radially inside the particle. The main objective of this work is to access the effects of…
Differential cross sections are computed for the title polar molecule using static interaction, exchange forces and correlation-polarisation effects as described in detail in the main text. The dipole effect is also reported via the dipole…
Within a dipolar Poisson-Boltzmann theory including electrostatic correlations, we consider the effect of explicit solvent structure on solvent and ion partition confined to charged nanopores. We develop a relaxation scheme for the solution…
A new real space quantum mechanical approach with local field effects included is applied to the calculation of the optical properties of silicon nanocrystals. Silicon ellipsoids are studied and the role of surface polarization is discussed…
Attractive dipole interactions can be induced between equally charged soft nanoparticles under the influence of AC electric fields. The combination of charge repulsion and dipole attraction, along with different screening responses from an…
The coplete analysis of the model-independent leading radiative corrections to cross-section and polarization observables in semi-inclusive deep-inelastic electron-nucleus scattering with detection of a proton and scattered electron in…
We utilize the self-consistent field theory to explore the mechanical and electrical properties of charged surfaces immersed in polyelectrolyte solutions that could be potentially useful for electrochemical applications. Our research…
Quantum Monte Carlo simulations of interacting electrons in solids often use Slater-Jastrow trial wave functions. The Jastrow function takes into account correlations between pairs of electrons. In simulations of solids, it is common to use…
A new iterative solver is proposed to efficiently calculate the ground state electronic structure in Density Functional Theory calculations. This algorithm is particularly useful for simulating physical systems considered difficult to…
We present calculations on the deformation of two- and three-layer electret systems. The electrical field is coupled with the stress-strain equations by means of the Maxwell stress tensor. In the simulations, two-phase systems are…
A new numerical method is introduced for calculating the polarizability of an arbitrary dielectric object with position dependent complex permittivity. Three separate numerical approaches are provided to calculate the dipole moment of a…
For two electrically small nonreciprocal scatterers an analytical electromagnetic model of polarizabilities is developed. Both particles are bianisotropic: the so-called Tellegen-omega particle and moving-chiral particle. Analytical results…
Numerical simulations by means of the Monte Carlo method have been performed to study the electrical properties of a two-dimensional composite filled with rodlike particles. The main goal was to study the effect of the alignment of such…
This paper tests a dielectric model for variation of hydration free energy with geometry of complex solutes in water. It works out some basic aspects of the theory of boundary integral methods for these problems. One aspect of the…
In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.While the effects of electronic polarization are highly…
Effects of two-body dipolar interactions on the effective permittivity/conductivity of a binary, symmetric, random dielectric composite are investigated in a self-consistent framework. By arbitrarily splitting the singularity of the Green…
We outline the recent results on the two-loop electroweak contributions to the electron-electron scattering cross sections and asymmetries. Although the two-loop corrections are strongly suppressed relative to the one-loop corrections, they…
Dielectric spectroscopy is known as one of the most powerful techniques for studying ferroelectric and other polar materials. Since the discovery of ferroelectricity in Liquid Crystals, it has been successfully employed for the…