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In this work we present a new basis set for electronic structures (Density Functional Theory (DFT)) calculations. This basis set extends Soler Williams Linearized Augmented Plane Wave (SLAPW) basis sets by allowing variable Muffin Tin (MT)…

Other Condensed Matter · Physics 2024-04-15 Garry Goldstein

Let $\al$ be an irrational and $\varphi: \N \rightarrow \R^+$ be a function decreasing to zero. For any $\al$ with a given Diophantine type, we show some sharp estimations for the Hausdorff dimension of the set [E_{\varphi}(\al):={y\in \R:…

Dynamical Systems · Mathematics 2012-09-17 Lingmin Liao , Michal Rams

This work is devoted to a vast extension of Sanov's theorem, in Laplace principle form, based on alternatives to the classical convex dual pair of relative entropy and cumulant generating functional. The abstract results give rise to a…

Probability · Mathematics 2019-12-12 Daniel Lacker

We give distance--redshift relations in terms of elliptic integrals for three different mass distributions of the Friedmann-Lema\^\i tre-Robertson-Walker (FLRW) cosmology. These models are dynamically pressure free FLRW on large scales but,…

Astrophysics · Physics 2007-05-23 R. Kantowski , J. K. Kao , R. C. Thomas

We study the problem of decentralized interferometric imaging over networks, where agents have access to a subset of local radar measurements and can compute pair-wise correlations with their neighbors. We propose a primal-dual distributed…

Optimization and Control · Mathematics 2022-06-09 Sean M. Farrell , Ashok Veeraraghavan , Ashutosh Sabharwal , César A. Uribe

Many-body theories such as dynamical mean field theory (DMFT) have enabled the description of the electron exchange-correlation interactions that are missing in current density functional theory (DFT) calculations. However, there has been…

Strongly Correlated Electrons · Physics 2021-01-19 A. D. N. James , E. I. Harris-Lee , A. Hampel , M. Aichhorn , S. B. Dugdale

In this paper we introduce the relative generalized minimum distance function (RGMDF for short) and it allows us to give an algebraic approach to the relative generalized Hamming weights of the projective Reed--Muller--type codes. Also we…

Commutative Algebra · Mathematics 2021-04-21 Manuel Gonzalez Sarabia , Miguel E. Uribe-paczka , Eliseo Sarmiento , Carlos Renteria

Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…

Physics Education · Physics 2010-12-07 Nathan Argaman , Guy Makov

Accurate interpolation of functions and derivatives is crucial in solving partial differential equations (PDEs). The Radial Basis Function (RBF) method has become an extremely popular and robust approach for interpolation on scattered data.…

Numerical Analysis · Mathematics 2025-05-23 Amirhossein Fashamiha , David Salac

We present a differentiation framework for plane-wave density-functional theory (DFT) that combines the strengths of forward-mode algorithmic differentiation (AD) and density-functional perturbation theory (DFPT). In the resulting AD-DFPT…

Materials Science · Physics 2025-12-23 Niklas Frederik Schmitz , Bruno Ploumhans , Michael F. Herbst

Density functional theory (DFT) is an indispensable ab initio method in both quantum chemistry and condensed matter physics. Based on recent advancements in reduced density matrix functional theory (RDMFT), a variant of DFT that is believed…

Quantum Physics · Physics 2026-04-02 Chih-Chun Wang

Motivated by Dunkl operators theory, we consider a generating series involving a modified Bessel function and a Gegenbauer polynomial, that generalizes a known series already considered by L. Gegenbauer. We actually use inversion formulas…

Classical Analysis and ODEs · Mathematics 2012-07-30 Nizar Demni

Random hyperspherical harmonics are Gaussian Laplace eigenfunctions on the unit $d$-dimensional sphere ($d\ge 2$). We study the convergence in Total Variation distance for their nonlinear statistics in the high energy limit, i.e., for…

Probability · Mathematics 2023-11-14 Lucia Caramellino , Giacomo Giorgio , Maurizia Rossi

In this research work, let us focus on the construction of numerical scheme based on radial basis functions finite difference (RBF-FD) method combined with the Laplace transform for the solution of fractional order dispersive wave…

Numerical Analysis · Mathematics 2025-08-15 Hameed Ullah Jan , Marjan Uddin , Irshad Ali Shah , Salam Ullah Khan

We study many properties of level-dependent Hermite subdivision, focusing on schemes preserving polynomial and exponential data. We specifically consider interpolatory schemes, which give rise to level-dependent multiresolution analyses…

Numerical Analysis · Mathematics 2018-01-11 Mariantonia Cotronei , Caroline Moosmüller , Tomas Sauer , Nada Sissouno

We consider finite approximations of a fractal generated by an iterated function system of affine transformations on $\mathbb{R}^d$ as a discrete set of data points. Considering a signal supported on this finite approximation, we propose a…

Functional Analysis · Mathematics 2016-07-14 Calvin Hotchkiss , Eric S. Weber

In this paper we define distance expanding random dynamical systems. We develop the appropriate thermodynamic formalism of such systems. We obtain in particular the existence and uniqueness of invariant Gibbs states, the appropriate…

Dynamical Systems · Mathematics 2010-12-08 Volker Mayer , Bartlomiej Skorulski , Mariusz Urbański

We prove a new generalization of Davenport's Fourier expansion of the infinite series involving the fractional part function over arithmetic functions. A new Mellin transform related to the Riemann zeta function is also established.

Number Theory · Mathematics 2021-10-26 Alexander E Patkowski

For translationally invariant one-band lattice models, we exploit the ab initio knowledge of the natural orbitals to simplify reduced density matrix functional theory (RDMFT). Striking underlying features are discovered: First, within each…

Quantum Physics · Physics 2019-01-08 Christian Schilling , Rolf Schilling

In this work, wavelet-based filtering operators are constructed by introducing a basic function $D(t_1, t_2, t_3)$ using a general wavelet transform. The cardinal orthogonal scaling functions (COSF) provide an idea to derive the standard…

Functional Analysis · Mathematics 2025-06-25 Digvijay Singh , Rahul Shukla , Karunesh Kumar Singh