On the calculation of the interaction potential in multiatomic systems

DOI10.1134/S0965542519020064MaRDI QIDQ2313441zbMATH OpenOpenAlexFDO

Authors V. G. Zavodinsky, O. A. Gorkusha

Publication date 19 July 2019

Published in Computational Mathematics and Mathematical Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1134/s0965542519020064

zbMATH Keywords

electrostatic potentialmultipole expansionPoisson's equationtwo-grid methodVoronoi polyhedra

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Numerical methods for discrete and fast Fourier transforms (65T50) Electro- and magnetostatics (78A30) Multipole methods applied to problems in optics and electromagnetic theory (78M16)

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Cites work

• A fast adaptive multipole algorithm in three dimensions
• A Fourier Method for the Numerical Solution of Poisson's Equation
• scientific article; zbMATH DE number 1455125 (Why is no real title available?)
• scientific article; zbMATH DE number 3285978 (Why is no real title available?)
• Multi-Level Adaptive Solutions to Boundary-Value Problems

Cited in

(6)

• A method of calculation of self-consistent atomic potentials for a multicomponent mixture in the relativistic Hartree-Fock-Slater approximation
• The Gaussian Approximation Potential
• Derivation of many-body potential among charged particles in the S-matrix method
• On the precision increasing in calculation of potential for the systems of interactive atoms
• Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids
• Numerical calculation of integrals in the density functional theory in the electron gas approximation using CUDA technology

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