Efficient multi-scale computation of products of orbitals in electronic structure calculations

DOI10.1007/S00791-011-0153-9zbMATH Open1237.65016OpenAlexW2052359281MaRDI QIDQ414079FDOQ414079

Wolfgang Hackbusch, Heinz-Jürgen Flad, Sambasiva Rao Chinnamsetty

Publication date: 10 May 2012

Published in: Computing and Visualization in Science (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s00791-011-0153-9

zbMATH Keywords

two-electron integralstensor product approximationDaubechies wavelet baseselectronic structure calculationsnon-standard approachproducts of orbitalsstandard approach

Mathematics Subject Classification ID

Computation of special functions and constants, construction of tables (65D20)

Cites Work

• Orthonormal bases of compactly supported wavelets
• Ten Lectures on Wavelets
• Tensor Rank and the Ill-Posedness of the Best Low-Rank Approximation Problem
• Symmetric iterative interpolation processes
• Nonlinear functionals of wavelet expansions -- adaptive reconstruction and fast evaluation
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• On the Representation of Operators in Bases of Compactly Supported Wavelets
• Using the Refinement Equation for Evaluating Integrals of Wavelets
• How smooth is your wavelet? Wavelet regularity via thermodynamic formalism
• Title not available (Why is that?)
• Asymptotic regularity of solutions to Hartree-Fock equations with Coulomb potential
• Title not available (Why is that?)
• Title not available (Why is that?)
• Tensor decomposition in electronic structure calculations on 3D Cartesian grids

Cited In (2)

• Mesh-free canonical tensor products for six-dimensional density matrix: computation of kinetic energy
• A literature survey of low-rank tensor approximation techniques

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