相关论文: SIMPLE code: optical properties with optimal basis…
We develop and apply an optimization method to design invisibility cloaks. Our method is based on minimizing the forward scattering amplitude of the cloaked object, which by the optical theorem, is equivalent to the total cross section. The…
The combination of two-dimensional materials into heterostructures offers new opportunities for the design of optoelectronic devices with tunable properties. However, computing electronic and optical properties of such systems using…
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The excitonic effects on optical spectra are included by solving…
In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…
The polysymplectic analysis of the Short Pulse Equation known in nonlinear optics is used in order to construct a geometric polysymplectic integrator for it. The proposed scheme turns out to be much more effective than other standard…
This contribution presents a simple Finite Element model aimed at efficient simulation of layered glass units. The adopted approach is based on considering independent kinematics of each layer, tied together via Lagrange multipliers.…
The optical and electronic properties of the {\alpha}-SiTe, {\beta}-SiTe, and RX-SiTe_2 are investigated. A detailed analysis of electronic properties is done using standard density functional theory (DFT) and hybrid functional (HSE06)…
Dielectric properties of material mixtures are of importance in diagnostics, characterization and design of systems in various engineering fields. In this Letter, we propose a peculiar dielectric mixture expression, which is based on the…
A formalism is introduced for the non-perturbative, purely numerical, solution of the reduced Rayleigh equation for the scattering of light from two-dimensional penetrable rough surfaces. As an example, we apply this formalism to study the…
The Bethe-Salpeter formalism represents the most accurate method available nowadays for computing neutral excitation energies and optical spectra of crystalline systems from first principles. Bethe-Salpeter calculations yield very good…
Since the 1960's the finite element method emerged as a powerful tool for the numerical simulation of countless physical phenomena or processes in applied sciences. One of the reasons for this undeniable success is the great versatility of…
In this paper we present an approach aimed at calculating the optical dielectric constant of crystalline insulators both at the Hartree-Fock, and correlated levels. Our scheme employs a real-space methodology, employing Wannier functions as…
A preconditioned, multipole-accelerated, Krylov-subspace iterative algorithm for the electromagnetic scattering analysis of three dimensional (3D), arbitrary shaped dielectric structures composed of single and multi-layered dielectric…
The Bethe-Salpeter equation (BSE) formalism is steadily asserting itself as a new efficient and accurate tool in the ensemble of computational methods available to chemists in order to predict optical excitations in molecular systems. In…
Theoretical optical and x-ray spectra of model structures of water and ice are calculated using a many-body perturbation theory, Bethe-Salpeter equation (BSE) approach implemented in the valence- and core-excitation codes AI2NBSE and OCEAN.…
We propose a new scheme to parameterize effective potentials that can be used to simulate atomic systems such as oxide glasses. As input data for the optimization, we use the radial distribution functions of the liquid and the vibrational…
A method for automatic computation of parameter derivatives of numerically computed light scattering signals is demonstrated. The finite-element based method is validated in a numerical convergence study, and it is applied to investigate…
The Topological Signal Processing (TSP) framework has been recently developed to analyze signals defined over simplicial complexes, i.e. topological spaces represented by finite sets of elements that are closed under inclusion of subsets…
Recently, quantum corrections to optical conductivity of disordered metals up to the UV region were observed. Although this increase of conductivity with frequency, also called anti-Drude behaviour, should disappear at the electron…
We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excitations. Standard approaches to construct and diagonalize the…