Related papers: Dielectric screening in extended systems using the…
We present SIMPLE, a code developed to calculate optical properties of metallic and insulating extended systems using the optimal basis method originally proposed by E. L. Shirley in 1996. Two different approaches for the evaluation of the…
To find a suitable framework for nonlinear crystal optics(NCO), we have revisited linear crystal optics(LCO). At the methodological level, three widely used plane wave bases are compared in terms of eigenanalysis in reciprocal space and…
We propose two new alternative numerical schemes to solve the coupled Einstein-Euler equations in the Generalized Harmonic formulation. The first one is a finite difference (FD) Central Weighted Essentially Non-Oscillatory (CWENO) scheme on…
Space charge layers (SCLs) at grain boundaries play a crucial role in modulating local electric fields and influencing the functional properties of materials, such as oxygen vacancy migration and ionic conductivity in oxide ceramics.…
We present a simple and general method for construction of localized orbitals to describe electronic structure of extended periodic metals and insulators as well as confined systems. Spatial decay of these orbitals is found to exhibit…
Wave propagation problems have many applications in physics and engineering, and the stochastic effects are important in accurately modeling them due to the uncertainty of the media. This paper considers and analyzes a fully discrete finite…
We study the spreading dynamics of an initially localized wave packet in 1D nonlinear Schr\"{o}dinger lattices with random potential. It is shown that adding small dielectric coupling to surrounding random medium results in asymptotic…
We present a computational approach which is tailored for reducing the complexity of the description of extended systems at the density functional theory level. We define a recipe for generating a set of localized basis functions which are…
We study here the nonlinear Schrodinger Equation (NLS) as the first term in a sequence of approximations for an electromagnetic (EM) wave propagating according to the nonlinear Maxwell equations (NLM). The dielectric medium is assumed to be…
The Bethe-Salpeter equation (BSE) can provide an accurate description of low-energy optical spectra of insulating crystals - even when excitonic effects are important. However, due to high computational costs it is only possible to include…
We establish sharp energy decay rates for a large class of nonlinearly first-order damped systems, and we design discretization schemes that inherit of the same energy decay rates, uniformly with respect to the space and/or time…
This paper generalizes the earlier work on the energy-based discontinuous Galerkin method for second-order wave equations to fourth-order semilinear wave equations. We first rewrite the problem into a system with a second-order spatial…
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We…
This paper presents a non-zoned discrete dielectric lens comprising two or three matching layers to reduce the 50-110 GHz frequency range reflections. Based on Chebyshev and binomial multi-section transformers, the designed models use…
We present a general embedding theory of electronic excitations of a relatively small, localized system in contact with an extended, chemically complex environment. We demonstrate how to include the screening response of the environment…
In this paper, we realize the concept of analog computing using an array of engineered gradient dielectric meta-reflect-array. The proposed configuration consists of individual subwavelength silicon nanobricks in combination with fused…
A covariant non-local extention if the stationary Schr\"odinger equation is presented and it's solution in terms of Heisenbergs's matrix quantum mechanics is proposed. For the special case of the Riesz fractional derivative, the calculation…
We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold…
We calculate the long-wavelength static screening properties of both neutral and doped graphene in the framework of density-functional theory. We use a plane-wave approach with periodic images in the third dimension and truncate the Coulomb…
Localized solutions of the Dirac equation for an electron moving in free space and electromagnetic field lattices with periodic dependence on space-time coordinates (electromagnetic space-time crystals) are treated using the expansions in…