Tensor decomposition in electronic structure calculations on 3D Cartesian grids

DOI10.1016/j.jcp.2009.04.043zbMath1171.82017OpenAlexW2032402705MaRDI QIDQ834125

Sambasiva Rao Chinnamsetty, Boris N. Khoromskij, Heinz-Jürgen Flad, Venera Khoromskaia

Publication date: 19 August 2009

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2009.04.043

zbMATH Keywords

discrete convolutionHartree-Fock equationorthogonal adaptive tensor-product basisTucker-type tensor decomposition

Mathematics Subject Classification ID

Computational methods for sparse matrices (65F50) Spectral, collocation and related methods for boundary value problems involving PDEs (65N35) Iterative numerical methods for linear systems (65F10) PDEs in connection with quantum mechanics (35Q40) Statistical mechanics of semiconductors (82D37) Multilinear algebra, tensor calculus (15A69)

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Uses Software

• MOLPRO

Cites Work

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