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We present a numerically efficient and accurate Multiple Scattering formalism, which is a generalization of the Multiple Scattering method with a truncated basis set [X. -G. Zhang and W. H. Butler, Phys. Rev. B 46,7433 (1992)]. Compared to…

Quantum Physics · Physics 2016-05-03 Junqing Xu , Keisuke Hatada , Didier Sébilleau , Li Song

In this Brief Report, we present an algorithm for calculating the elastic Lattice Greens Function of a regular lattice, in which defects are created by removing lattice points. The method is computationally efficient, since the required…

Materials Science · Physics 2009-10-28 J. Schiøtz , A. E. Carlsson

In this paper, we obtain some formulae for harmonic sums, alternating harmonic sums and Stirling number sums by using the method of integral representations of series. As applications of these formulae, we give explicit formula of several…

Number Theory · Mathematics 2017-01-03 Ce Xu

We study discrete complex analysis and potential theory on a large family of planar graphs, the so-called isoradial ones. Along with discrete analogues of several classical results, we prove uniform convergence of discrete harmonic…

Complex Variables · Mathematics 2011-05-12 Dmitry Chelkak , Stanislav Smirnov

In the study of periodic media, conditionally convergent series are frequently encountered and their regularization is crucial for applications. We derive an identity that regularizes two-dimensional generalized Eisenstein series for all…

Mathematical Physics · Physics 2016-08-10 Parry Y. Chen , Michael J. A. Smith , Ross C. McPhedran

We calculate electrostatic potential landscapes for an external probe charge in the presence of a set of metallic islands. Our numerical calculation in three dimensions (3D)uses an efficient grid relaxation technique. The well-known…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 A. Weichselbaum , S. E. Ulloa

A new algorithm for simulating compact U(1) lattice gauge theory in three dimensions is presented which is based on global changes in the configuration space. We show that this algorithm provides an effective way to extract partition…

High Energy Physics - Lattice · Physics 2009-11-10 F. Alet , B. Lucini , M. Vettorazzo

Combining the derivative operator with a binomial sum from the telescoping method, we establish a family of summation formulas involving generalized harmonic numbers.

Combinatorics · Mathematics 2012-03-14 Chuanan Wei , Qinglun Yan , Dianxuan Gong

A generalised summation method is considered based on the Fourier series of periodic distributions. It is shown that $$ e^{it}-2e^{2it}+3e^{3it}-4e^{4it}+-\cdots = {\mathrm P\mathrm f} {\displaystyle \frac{e^{it}}{(1+e^{it})^2}} +i\pi…

Functional Analysis · Mathematics 2020-03-31 Amol Sasane

A summation is a shift-invariant ${\rm R}$-module homomorphism from a submodule of ${\rm R}[[\sigma]]$ to ${\rm R}$ or another ring. [11] formalized a method for extending a summation to a larger domain by telescoping. In this paper, we…

Commutative Algebra · Mathematics 2021-05-12 Robert Dawson , Grant Molnar

We show that Green function methods can be straightforwardly applied to nonlinear equations appearing as the leading order of a short time expansion. Higher order corrections can be then computed giving a satisfactory agreement with…

High Energy Physics - Theory · Physics 2008-11-26 Marco Frasca

A `forward walking' Green's Function Monte Carlo algorithm is used to obtain expectation values for SU(3) lattice Yang-Mills theory in (3+1) dimensions. The ground state energy and Wilson loops are calculated, and the finite-size scaling…

High Energy Physics - Lattice · Physics 2009-10-31 C. J. Hamer , M. Samaras , R. J. Bursill

Diffraction images with continuous rotation symmetry arise from amorphous systems, but also from regular crystals when investigated by powder diffraction. On the theoretical side, pinwheel patterns and their higher dimensional…

Spectral Theory · Mathematics 2007-05-23 Michael Baake , Dirk Frettlöh , Uwe Grimm

In this paper, we present a method for fast summation of long-range potentials on 3D lattices with multiple defects and having non-rectangular geometries, based on rank-structured tensor representations. This is a significant generalization…

Numerical Analysis · Mathematics 2015-03-30 Venera Khoromskaia , Boris N. Khoromskij

Aggregation functions are generally defined and used to combine several numerical values into a single one, so that the final result of the aggregation takes into account all the individual values in a given manner. Such functions are…

Statistics Theory · Mathematics 2009-06-22 Jean-Luc Marichal

We present an efficient implementation of coupled-cluster Green's function (CCGF) method for simulating photoemission spectra of periodic systems. We formulate the periodic CCGF approach with Brillouin zone sampling in Gaussian basis at the…

Chemical Physics · Physics 2022-11-08 Katelyn Laughon , Jason M. Yu , Tianyu Zhu

This document is a companion for the Maple program \textbf{Summing a polynomial function over integral points of a polygon}. It contains two parts. First, we see what this programs does. In the second part, we briefly recall the…

Computational Geometry · Computer Science 2009-05-13 Velleda Baldoni , Nicole Berline , Michèle Vergne

Dynamical potentials appear in many advanced electronic-structure methods, including self-energies from many-body perturbation theory, dynamical mean-field theory, electronic-transport formulations, and many embedding approaches. Here, we…

Materials Science · Physics 2022-12-08 Tommaso Chiarotti , Nicola Marzari , Andrea Ferretti

An efficient numerical method based on half-space Green function and spherical harmonics expansion is used to study the light scattering from coupled multiple nanospheres on a substrate. The ellipsometric spectra for various geometries of…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Huai-Yi Xie , Yia-Chung Chang

Clustering is a common technique for statistical data analysis, which is used in many fields, including machine learning, data mining, pattern recognition, image analysis and bioinformatics. Clustering is the process of grouping similar…

Data Structures and Algorithms · Computer Science 2012-05-08 T. Soni Madhulatha