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We present an explicit solver of the three-dimensional screened and unscreened Poisson's equation which combines accuracy, computational efficiency and versatility. The solver, based on a mixed plane-wave / interpolating scaling function…

Materials Science · Physics 2013-03-27 Alessandro Cerioni , Luigi Genovese , Alessandro Mirone , Vicente Armando Sole

Interpolating scaling functions give a faithful representation of a localized charge distribution by its values on a grid. For such charge distributions, using a Fast Fourier method, we obtain highly accurate electrostatic potentials for…

Materials Science · Physics 2009-11-11 Luigi Genovese , Thierry Deutsch , Alexey Neelov , Stefan Goedecker , Gregory Beylkin

A three-dimensional (3D) Poisson solver with longitudinal periodic and transverse open boundary conditions can have important applications in beam physics of particle accelerators. In this paper, we present a fast efficient method to solve…

Accelerator Physics · Physics 2017-09-13 Ji Qiang

We present an efficient and accurate algorithm for solving the Poisson equation in spherical polar coordinates with a logarithmic radial grid and open boundary conditions. The method employs a divide-and-conquer strategy, decomposing the…

Instrumentation and Methods for Astrophysics · Physics 2025-07-10 Jeonghyeon Ahn , Woong-Tae Kim , Yonghwi Kim

We propose a novel efficient algorithm to solve Poisson equation in irregular two dimensional domains for electrostatics. It can handle Dirichlet, Neumann or mixed boundary problems in which the filling media can be homogeneous or…

Mathematical Physics · Physics 2013-06-17 Zu-Hui Ma , Weng Cho Chew , Li Jun Jiang

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

The computational study of chemical reactions in complex, wet environments is critical for applications in many fields. It is often essential to study chemical reactions in the presence of applied electrochemical potentials, taking into…

Materials Science · Physics 2016-01-20 G. Fisicaro , L. Genovese , O. Andreussi , N. Marzari , S. Goedecker

Numerical solution of the Poisson equation in metallic enclosures, open at one or more ends, is important in many practical situations such as High Power Microwave (HPM) or photo-cathode devices. It requires imposition of a suitable…

Computational Physics · Physics 2015-10-16 Debabrata Biswas , Gaurav Singh , Raghwendra Kumar

We present an accurate and efficient method to calculate the gravitational potential of an isolated system in three-dimensional Cartesian and cylindrical coordinates subject to vacuum (open) boundary conditions. Our method consists of two…

Instrumentation and Methods for Astrophysics · Physics 2021-06-15 Sanghyuk Moon , Woong-Tae Kim , Eve C. Ostriker

An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled,…

Computational Physics · Physics 2017-10-18 Lukas Exl

Self-consistent multi-particle simulation plays an important role in studying beam-beam effects and space charge effects in high-intensity beams. The Poisson equation has to be solved at each time-step based on the particle density…

Accelerator Physics · Physics 2014-10-15 J. Qiang , S. Paret

We present an efficient numerical method, inspired by transformation optics, for solving the Poisson equation in complex and arbitrarily shaped geometries. The approach operates by mapping the physical domain to a uniform computational…

Numerical Analysis · Mathematics 2026-02-03 Deepak Gautam , Bhooshan Paradkar

In this paper we present a novel fast method to solve Poisson equation in an arbitrary two dimensional region with Neumann boundary condition. The basic idea is to solve the original Poisson problem by a two-step procedure: the first one…

Mathematical Physics · Physics 2012-07-19 Zu-Hui Ma , Weng Cho Chew , Lijun Jiang

A method is presented to include irregular domain boundaries in a geometric multigrid solver. Dirichlet boundary conditions can be imposed on an irregular boundary defined by a level set function. Our implementation employs quadtree/octree…

Numerical Analysis · Mathematics 2023-01-26 Jannis Teunissen , Francesca Schiavello

We address periodic-image errors arising from the use of periodic boundary conditions to describe systems that do not exhibit full three-dimensional periodicity. The difference between the periodic potential, as straightforwardly obtained…

Other Condensed Matter · Physics 2009-11-13 Ismaila Dabo , Boris Kozinsky , Nicholas E. Singh-Miller , Nicola Marzari

A numerical scheme is described for accurately accommodating oblique, non-aligned, boundaries, on a three-dimensional cartesian grid. The scheme gives second-order accuracy in the solution for potential of Poisson's equation using compact…

Computational Physics · Physics 2011-05-09 Ian H Hutchinson

In this paper, we consider a semiconducting device with an active zone made of a single-layer material. The associated Poisson equation for the electrostatic potential (to be solved in order to perform self-consistent computations) is…

Numerical Analysis · Mathematics 2023-02-01 Clément Jourdana , Paola Pietra

We propose a spectral solver for the Poisson equation on a square domain, achieving optimal complexity through the ultraspherical spectral method and the alternating direction implicit (ADI) method. Compared with the state-of-the-art…

Numerical Analysis · Mathematics 2025-02-25 Ouyuan Qin

In this article, we present an analytical direct method, based on a Numerov three-point scheme, which is sixth order accurate and has a linear execution time on the grid dimension, to solve the discrete one-dimensional Poisson equation with…

Mesoscale and Nanoscale Physics · Physics 2007-12-12 Esmerindo Bernardes

The Poisson-Boltzmann equation offers an efficient way to study electrostatics in molecular settings. Its numerical solution with the boundary element method is widely used, as the complicated molecular surface is accurately represented by…

Numerical Analysis · Mathematics 2021-08-25 Stefan D. Search , Christopher D. Cooper , Elwin van't Wout
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