Grid-based electronic structure calculations: The tensor decomposition approach

Journal of Computational Physics

Volumn 312, Issue , 2016, Pages 19-30

  Rakhuba, M V ^a   Oseledets, I V ^a,b  

^a SKOLKOVO INSTITUTE OF SCIENCE AND TECHNOLOGY   (Russian Federation)

^b INSTITUTE OF NUMERICAL MATHEMATICS   (Russian Federation)

Author keywords

Cross approximation method; Hartree Fock equation; Integral iteration; Kohn Sham equation; Multidimensional convolution; Tensor decompositions

Indexed keywords

ATOMS; COMPUTATIONAL COMPLEXITY; CONVOLUTION; ELECTRONIC STRUCTURE; HARTREE APPROXIMATION; ITERATIVE METHODS; MOLECULAR PHYSICS;

APPROXIMATION METHODS; CROSS-APPROXIMATION METHOD; DECOMPOSITION APPROACH; ELECTRONIC STRUCTURE CALCULATIONS; GRID-BASED; HARTREE-FOCK EQUATIONS; INTEGRAL ITERATION; KOHN SHAM EQUATIONS; MULTIDIMENSIONAL CONVOLUTION; TENSOR DECOMPOSITION;

TENSORS;

EID: 84958259400     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2016.02.023     Document Type: Article

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