Fast tensor method for summation of long‐range potentials on 3D lattices with defects

DOI10.1002/nla.2023zbMath1413.65141arXiv1411.1994OpenAlexW2148442881MaRDI QIDQ5739760

Boris N. Khoromskij, Venera Khoromskaia

Publication date: 19 July 2016

Published in: Numerical Linear Algebra with Applications (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1411.1994

zbMATH Keywords

lattice sumselectronic structure calculationstensor numerical methodscanonical and Tucker tensor formatsreduced higher-order SVDdefected lattice in a boxlong-range interaction potentials

Mathematics Subject Classification ID

Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Lattice systems (Ising, dimer, Potts, etc.) and systems on graphs arising in equilibrium statistical mechanics (82B20) Multilinear algebra, tensor calculus (15A69)

Related Items

NFFT based Ewald summation for electrostatic systems with charges and dipoles, Low-rank tensor methods for partial differential equations, Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach, Range-separated tensor decomposition of the discretized Dirac delta and elliptic operator inverse, Mathematical methods in quantum chemistry. Abstracts from the workshop held March 18--24, 2018, Range-Separated Tensor Format for Many-Particle Modeling, Prospects of tensor-based numerical modeling of the collective electrostatics in many-particle systems, Tucker tensor analysis of Matérn functions in spatial statistics

Uses Software

• Matlab
• CRYSCOR

Cites Work

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