Related papers: Dielectric screening in extended systems using the…
The general method to obtain solutions of the Maxwellian equations from scalar representatives is developed and applied to the diffraction of electromagnetic waves. Kirchhoff's integral is modified to provide explicit expressions for these…
The stability and convergence analysis of high-order numerical approximations for the one- and two-dimensional nonlocal wave equations on unbounded spatial domains are considered. We first use the quadrature-based finite difference schemes…
Diffractive lenses have recently been applied to the domain of multispectral imaging in the X-ray and UV regimes where they can achieve very high resolution as compared to reflective and refractive optics. Conventionally, spectral…
The review of developed by the authors new techniques for covariant calculation of matrix elements in QED, the so-called formalism of "Diagonal Spin Basis" (DSB), is presented. In DSB spin 4-vectors of in- and out- fermions are expressed…
A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of…
Linear scaling methods provide total energy, but no energy levels and canonical wavefuctions. From the density matrix computed through the density matrix purification methods, we propose an order-N (O(N)) method for calculating both the…
An algorithm for first-principles electronic structure calculations having a computational cost which scales linearly with the system size is presented. Our method exploits the real-space localization of the density matrix, and in this…
Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scientific problems. Still, the precision of different packages…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
Fast and accurate resolution of electromagnetic problems via the \ac{BEM} is oftentimes challenged by conditioning issues occurring in three distinct regimes: (i) when the frequency decreases and the discretization density remains constant,…
Strongly correlated systems containing d/f-electrons present a challenge to conventional density functional theory (DFT), such as the widely used local density approximation (LDA) or generalized gradient approximation (GGA). In this work,…
In this work, we present a new high order Discontinuous Galerkin time integration scheme for second-order (in time) differential systems that typically arise from the space discretization of the elastodynamics equation. By rewriting the…
Dielectric metasurfaces provide a unique platform for efficient harmonic generation and optical wavefront manipulation at the nanoscale. Tailoring phase and amplitude of a nonlinearly generated wave with a high emission efficiency using…
On an example of the open nonlinear electrodynamic system - transverse non-homogeneous, isotropic, nonmagnetic, linearly polarized, nonlinear (a Kerr-like dielectric nonlinearity) dielectric layer, the algorithms of solution of the…
We present a method using Zernike moments for quantifying rotational and reflectional symmetries in scanning transmission electron microscopy (STEM) images, aimed at improving structural analysis of materials at the atomic scale. This…
Two-dimensional (2D) materials are increasingly being used as active components in nanoscale devices. Many interesting properties of 2D materials stem from the reduced and highly non-local electronic screening in two dimensions. While…
The behavior of a 2-D model of an extended hemielliptic silicon lens of a size typical for THz applications is accurately studied for the case of a plane E-wave illumination. The full-wave analysis of the scattering problem is based on the…
An implementation of full self-consistency over the electronic density in the DFT+DMFT framework on the basis of a plane wave-projector augmented wave (PAW) DFT code is presented. It allows for an accurate calculation of the total energy in…
This work extends the applicability of our recent convexification-based algorithm for constructing images of the dielectric constant of buried or occluded target. We are orientated towards the detection of explosive-like targets such as…
Electromagnetic wave scattering from planar dielectric films deposited on one-dimensional, randomly rough, perfectly conducting substrates is studied by numerical simulations for both p- and s-polarization. The reduced Rayleigh equation,…