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Many-body interactions arise naturally in the perturbative treatment of classical and quantum many-body systems and play a crucial role in the description of condensed matter systems. In the case of three-body interactions, the…

Numerical Analysis · Mathematics 2025-04-17 Andreas A. Buchheit , Jonathan K. Busse

This paper introduces a new method for the efficient computation of oscillatory multidimensional lattice sums in geometries with boundaries. Such sums are ubiquitous in both pure and applied mathematics, and have immediate applications in…

Numerical Analysis · Mathematics 2024-03-07 Andreas A. Buchheit , Torsten Keßler , Kirill Serkh

In the present paper, employing properties of the complete elliptic integrals of the first and second kind, we deduce closed-form formulae for the lattice sums and other new formulae. Applications to the effective properties of regular and…

Classical Analysis and ODEs · Mathematics 2016-11-23 Semyon Yakubovich , Piotr Drygas , Vladimir Mityushev

Wigner limits are given formally as the difference between a lattice sum, associated to a positive definite quadratic form, and a corresponding multiple integral. To define these limits, which arose in work of Wigner on the energy of static…

Mathematical Physics · Physics 2013-10-08 David Borwein , Jonathan M. Borwein , Armin Straub

We propose a new method to sum up electrostatic interactions in 2D slab geometries. It consists of a combination of two recently proposed methods, the 3D Ewald variant of Yeh and Berkowitz, J. Chem. Phys. 111 (1999) 3155, and the purely 2D…

Materials Science · Physics 2009-11-07 Axel Arnold , Jason de Joannis , Christian Holm

Lattice sums of cuboidal lattices, which connect the face-centered with the mean-centered and the body-centered cubic lattices through parameter dependent lattice vectors, are evaluated by decomposing them into two separate lattice sums…

Mathematical Physics · Physics 2021-05-20 Antony Burrows , Shaun Cooper , Peter Schwerdtfeger

We introduce certain lattice sums associated with hyperplane arrangements, which are (multiple) sums running over integers, and can be regarded as generalizations of certain linear combinations of zeta-functions of root systems. We also…

Number Theory · Mathematics 2016-04-29 Yasushi Komori , Kohji Matsumoto , Hirofumi Tsumura

The problem of finding the number of lattice points in a triangle has a classical solution if the lattice is $\mathbf{Z}^2$ and the vertices of the triangle have integer valued coordinates. We consider what happens when we replace the…

Number Theory · Mathematics 2022-06-08 Alessandro Lägeler

We present a new method, in the following called MMM2D, to accurately calculate the electrostatic energy and forces on charges being distributed in a two dimensional periodic array of finite thickness. It is not based on an Ewald summation…

Soft Condensed Matter · Physics 2009-11-07 Axel Arnold , Christian Holm

Over the last decade, the Lattice Boltzmann method has found major scope for the simulation of a large spectrum of problems in soft matter, from multiphase and multi-component microfluidic flows, to foams, emulsions, colloidal flows, to…

Soft Condensed Matter · Physics 2024-11-25 A. Tiribocchi , M. Durve , M. Lauricella , A. Montessori , J. M. Tucny , S. Succi

Ewald summation is widely used to calculate electrostatic interactions in computer simulations of condensed-matter systems. We present an analysis of the errors arising from truncating the infinite real- and Fourier-space lattice sums in…

chem-ph · Physics 2016-08-31 Gerhard Hummer

This paper presents an efficient parallel direct algorithm with near-optimal complexity for the compact fourth and sixth-order approximation of the three-dimensional Helmholtz equations [1] with the problem coefficient depending on only one…

Numerical Analysis · Mathematics 2020-03-13 Ronald Gonzales , Yury Gryazin , Yun Teck Lee

First, we calculate the Ehrhart polynomial associated to an arbitrary cube with integer coordinates for its vertices. Then, we use this result to derive relationships between the Ehrhart polynomials for regular lattice tetrahedrons and…

Combinatorics · Mathematics 2011-11-07 Eugen J. Ionascu

We present a fast summation method for lattice sums of the type which arise when solving wave scattering problems with periodic boundary conditions. While there are a variety of effective algorithms in the literature for such calculations,…

Numerical Analysis · Mathematics 2017-04-05 Ryan Denlinger , Zydrunas Gimbutas , Leslie Greengard , Vladimir Rokhlin

It is well known by analysts that a concept lattice has an exponential size in the data. Thus, as soon as he works with real data, the size of the concept lattice is a fundamental problem. In this chapter, we propose to investigate factor…

Discrete Mathematics · Computer Science 2015-11-20 Jean-François Viaud , Karell Bertet , Christophe Demko , Rokia Missaoui

We prove a variety of explicit formulas relating special values of generalized hypergeometric functions to lattice sums with four indices of summation. These results are related to Boyd's conjectured identities between Mahler measures and…

Number Theory · Mathematics 2010-12-30 Mathew D. Rogers

We examine the lattice generated by two pairs of supplementary vector subspaces of a finite-dimensional vector space by intersection and sum, with the aim of applying the results to the study of representations admitting two pairs of…

Representation Theory · Mathematics 2008-02-21 Lionel Bérard Bergery , Thomas Krantz

We introduce and study a novel tensor approach for fast and accurate assembled summation of a large number of lattice-allocated potentials represented on 3D $N\times N \times N$ grid with the computational requirements only \emph{weakly…

Numerical Analysis · Mathematics 2015-06-19 Venera Khoromskaia , Boris N. Khoromskij

We derive analytic solutions for the potential and field in a one-dimensional system of masses or charges with periodic boundary conditions, in other words Ewald sums for one dimension. We also provide a set of tools for exploring the…

Mathematical Physics · Physics 2015-05-19 Bruce N. Miller , Jean-Louis Rouet

The multiple scattering method T-matrix (MSTMM) can be used to solve the electromagnetic response of systems consisting of many compact scatterers, retaining a good level of accuracy while using relatively few degrees of freedom, largely…

Optics · Physics 2021-06-16 Marek Nečada , Päivi Törmä
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