Approximation of the electron density of aluminium clusters in tensor-product format

DOI10.1016/J.JCP.2011.12.009zbMath1245.82078OpenAlexW2097681964MaRDI QIDQ419613

Thomas Blesgen, Vikram Gavini, Venera Khoromskaia

Publication date: 18 May 2012

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

Full work available at URL: https://doi.org/10.1016/j.jcp.2011.12.009

zbMATH Keywords

finite elementselectron densityorbital-free density functional theoryaluminium clustersmultigrid accelerated tensor approximationTucker-type decomposition

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) PDEs in connection with quantum mechanics (35Q40) Statistical mechanics of metals (82D35)

Related Items (4)

TTDFT: a GPU accelerated Tucker tensor DFT code for large-scale Kohn-Sham DFT calculations ⋮ Fast and accurate 3D tensor calculation of the Fock operator in a general basis ⋮ Grid-based electronic structure calculations: the tensor decomposition approach ⋮ A literature survey of low-rank tensor approximation techniques

Cites Work

• Tensor Decompositions and Applications
• Non-periodic finite-element formulation of Kohn-Sham density functional theory
• Fast and accurate tensor approximation of a multivariate convolution with linear scaling in dimension
• Non-periodic finite-element formulation of orbital-free density functional theory
• Quasi-continuum orbital-free density-functional theory: a route to multi-million atom non-periodic DFT calculation
• Simplicial grid refinement: On Freudenthal's algorithm and the optimal number of congruence classes
• Computation of the Hartree-Fock exchange by the tensor-structured methods
• Low rank Tucker-type tensor approximation to classical potentials
• Tensor-product approximation to operators and functions in high dimensions
• Numerical Solution of the Hartree–Fock Equation in Multilevel Tensor-Structured Format
• Multigrid Accelerated Tensor Approximation of Function Related Multidimensional Arrays
• A Multilinear Singular Value Decomposition
• On the Best Rank-1 and Rank-(R₁ ,R₂ ,. . .,R_N) Approximation of Higher-Order Tensors
• On tensor approximation of Green iterations for Kohn-Sham equations

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