Tensor decomposition in electronic structure calculations on 3D Cartesian grids

Journal of Computational Physics

Volumn 228, Issue 16, 2009, Pages 5749-5762

  Khoromskij, B N ^a   Khoromskaia, V ^a   Chinnamsetty, S R ^a   Flad, H J ^b  

^a MAX PLANCK INSTITUTE FOR MATHEMATICS IN THE SCIENCES   (Germany)

^b TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Discrete convolution; Hartree Fock equation; Orthogonal adaptive tensor product basis; Tucker type tensor decomposition

Indexed keywords

CARRIER CONCENTRATION; ELECTRON DENSITY MEASUREMENT; ELECTRONIC STRUCTURE; ELECTRONS; HARTREE APPROXIMATION; MOLECULES; TENSORS;

CARTESIAN GRID; DISCRETE CONVOLUTION; ELECTRONIC STRUCTURE CALCULATIONS; HARTREE POTENTIAL; HARTREE-FOCK EQUATIONS; ORTHOGONAL ADAPTIVE TENSOR-PRODUCT BASE; TENSOR APPROXIMATION; TENSOR DECOMPOSITION; TENSOR PRODUCTS; TUCK-TYPE TENSOR DECOMPOSITION;

CONVOLUTION;

EID: 67649378419     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2009.04.043     Document Type: Article

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