Related papers: Algorithms for estimating spectral density functio…
The nonlinear optical properties and electro-optic effects of some oxygen-octahedric ferroelectrics are studied by the density functional theory (DFT) in the local density approximation (LDA) expressions based on first principle…
Special bases of orthogonal polynomials are defined, that are suited to expansions of density and potential perturbations under strict particle number conservation. Particle-hole expansions of the density response to an arbitrary…
Infrared and Raman spectroscopies are ubiquitous techniques employed in many experimental laboratories, thanks to their fast and non-destructive nature able to capture materials' features as spectroscopic fingerprints. Nevertheless, these…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
We obtain spectral estimates for the iterations of Ruelle operator $L_{f + (a + \i b)\tau + (c + \i d) g}$ with two complex parameters and H\"{o}lder functions $f,\: g$ generalizing the case $\Pr(f) =0$ studied in [PeS2]. As an application…
Diagrammatic techniques to compute perturbatively the spectral properties of Euclidean Random Matrices in the high-density regime are introduced and discussed in detail. Such techniques are developed in two alternative and very different…
Let X be a finite graph. Let E be the number of its edges and d be its degree. Denote by F_1(X) its first spectral density function which counts the number of eigenvalues less or equal to lambda^2 of the associated Laplace operator. We…
In this paper we study some local and global regularity properties of Fourier series obtained as fractional integrals of modular forms. In particular we characterize the differentiability at rational points, determine their H\"older…
We give a new fast method for evaluating sprectral approximations of nonlinear polynomial functionals. We prove that the new algorithm is convergent if the functions considered are smooth enough, under a general assumption on the spectral…
The problem of the mean-square optimal linear estimation of functionals which depend on the unknown values of a stationary stochastic sequence from observations of the sequence with noise is considered. In the case of spectral certainty,…
Is considered the asymptotical behavior of spectral function $\rho(\lambda, \epsilon),\epsilon > 0$, of one family of self adjoint differential operators of second order, defined in space $L_2[0,+\infty)$ with potentials, depending on…
Spectral density matrix estimation of multivariate time series is a classical problem in time series and signal processing. In modern neuroscience, spectral density based metrics are commonly used for analyzing functional connectivity among…
Density functional theory (DFT) is applied to atomic spectra under perturbations of superfluid liquid helium. The atomic DFT of helium is used to obtain the distribution of helium atoms around the impurity atom, and the electronic DFT is…
In order to clarify the statistical features of complex networks, the spectral density of adjacency matrices has often been investigated. Adopting a static model introduced by Goh, Kahng and Kim, we analyse the spectral density of complex…
We have developed a method for constructing spectral approximations for convolution operators of Fredholm type. The algorithm we propose is numerically stable and takes advantage of the recurrence relations satisfied by the entries of such…
We study the numerical differentiation formulae for functions given in grids with arbitrary number of nodes. We investigate the case of the infinite number of points in the formulae for the calculation of the first and the second…
It is shown that the conventional many-body techniques to calculate the Green's functions can be applied to the wide, compressible edge of a quantum Hall bar. The only ansatz we need is the existence of stable density modes that yields a…
We present the convergence rates and the explicit error bounds of Hill's method, which is a numerical method for computing the spectra of ordinary differential operators with periodic coefficients. This method approximates the operator by a…
We present a new approach (distinct from Gel'fand-Levitan) to the theorem of Borg-Marchenko that the m-function (equivalently, spectral measure) for a finite interval or half-line Schr\"odinger operator determines the potential. Our…
The famous Gelfand formula $\rho(A)= \limsup_{n\to\infty}\|A^{n}\|^{1/n}$ for the spectral radius of a matrix is of great importance in various mathematical constructions. Unfortunately, the range of applicability of this formula is…