Related papers: Nonuniform grids for Brillouin zone integration an…
We present a unified interpolation scheme that combines compactly-supported positive-definite kernels and multivariate polynomials. This unified framework generalizes interpolation with compactly-supported kernels and also classical…
The problem of barycentric Hermite interpolation is highly susceptible to overflows or underflows. In this paper, based on Sturm-Liouville equations for Jacobi orthogonal polynomials, we consider the fast implementation on the second…
The phonon density of states (DOS) of graphene with different types of point defects (carbon isotopes, substitution atoms, vacancies) is considered. Using a solvable model which is based on the harmonic approximation and the assumption that…
A trigonometric interpolation algorithm for non-periodic functions has been recently proposed and applied to study general ordinary differential equation (ODE). This paper enhances the algorithm to approximate functions in $2$-dim space.…
We present a symmetry analysis of the trigonal band structure in graphene, elucidating the transformational properties of the underlying basis functions and the crucial role of time-reversal invariance. Group theory is used to derive an…
Different numerical approaches for the stray-field calculation in the context of micromagnetic simulations are investigated. We compare finite difference based fast Fourier transform methods, tensor grid methods and the finite-element…
We present a nonlinear interpolation technique for parametric fields that exploits optimal transportation of coherent structures of the solution to achieve accurate performance. The approach generalizes the nonlinear interpolation procedure…
We introduce a novel gauge-invariant, quantized interband index in two-dimensional (2D) multiband systems. It provides a bulk topological classification of a submanifold of parameter space (e.g., an electron valley in a Brillouin zone), and…
We present a technique to adaptively bin sparse X-ray data using weighted Voronoi tesselations (WVTs). WVT binning is a generalisation of Cappellari & Copin's (2001) Voronoi binning algorithm, developed for integral field spectroscopy. WVT…
Within the mode-coupling theory (MCT) of the glass transition, we reconsider the numerical schemes to evaluate the MCT functional. Here we propose nonuniform discretizations of the wave number, in contrast to the standard equidistant grid,…
We present a Bayesian Voronoi image reconstruction technique (VIR) for interferometric data. Bayesian analysis applied to the inverse problem allows us to derive the a-posteriori probability of a novel parameterization of interferometric…
The Gridding algorithm has shown great utility for reconstructing images from non-uniformly spaced samples in the Fourier domain in several imaging modalities. Due to the non-uniform spacing, some correction for the variable density of the…
Fitting B-splines to discrete data is especially challenging when the given data contain noise, jumps, or corners. Here, we describe how periodic data sets with these features can be efficiently and robustly approximated with B-splines by…
We develop an efficient method to calculate the third-order corrections to the self-energy of the hole-doped two-dimensional Hubbard model in space-time representation. Using the Dyson equation we evaluate the renormalized spectral function…
It is argued that electron density dynamic's response to phonons at the Brillouin zone boundary is the key factor in the superconductivity mechanism of MgB2 as well as of all superconducting compounds leading to a real space electron-hole…
We consider methods for optimizing the bandgap calculation of 3D materials, considering 340 sample materials. Examined are the effects of the choice of the pseudopotential to describe core electrons, the plane-wave basis set cutoff energy,…
Distributed optical fiber Brillouin sensors detect the temperature and strain along a fiber according to the local Brillouin frequency shift, which is usually calculated by the measured Brillouin spectrum using Lorentzian curve fitting. In…
We investigated the vibrational properties of graphene nanoribbons by means of first-principles calculations on the basis of density functional theory. We confirm that the phonon modes of graphene nanoribbons with armchair and zigzag type…
We present a new technique for the interpolation of discretely-sampled non-negat ive scalar fields across regions of missing data. Any set of basis functions can be used, though the method is fastest when they are close to orthogonal. We…
Calculating dynamical diffraction patterns for X-ray topography and similar x-ray scattering-imaging techniques require the numerical integration of the Takagi-Taupin equations. This is usually performed with a simple second order finite…