Efficient multi-scale computation of products of orbitals in electronic structure calculations
type: Item
instance of: scholarly article
title: Efficient multi-scale computation of products of orbitals in electronic structure calculations
zbMATH Open document ID: 1237.65016
author: Sambasiva Rao Chinnamsetty
author: Wolfgang Hackbusch
author: Heinz-Jürgen Flad
published in: Computing and Visualization in Science
publication date: 2012-05-10T00:00:00Z
Mathematics Subject Classification ID: 65D20
zbMATH DE Number: 6032863
zbMATH Keywords: standard approach
zbMATH Keywords: non-standard approach
zbMATH Keywords: Daubechies wavelet bases
zbMATH Keywords: tensor product approximation
zbMATH Keywords: electronic structure calculations
zbMATH Keywords: products of orbitals
zbMATH Keywords: two-electron integrals
MaRDI profile type: Publication
full work available at URL: s00791-011-0153-9
OpenAlex ID: W2052359281
cites work: Q4359335
cites work: On the Representation of Operators in Bases of Compactly Supported Wavelets
cites work: Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
cites work: Q3598103
cites work: Using the Refinement Equation for Evaluating Integrals of Wavelets
cites work: Nonlinear functionals of wavelet expansions -- adaptive reconstruction and fast evaluation
cites work: Orthonormal bases of compactly supported wavelets
cites work: Ten Lectures on Wavelets
cites work: Tensor Rank and the Ill-Posedness of the Best Low-Rank Approximation Problem
cites work: Symmetric iterative interpolation processes
cites work: Asymptotic regularity of solutions to Hartree-Fock equations with Coulomb potential
cites work: Tensor decomposition in electronic structure calculations on 3D Cartesian grids
cites work: How smooth is your wavelet? Wavelet regularity via thermodynamic formalism
cites work: Q3237082
DOI: 10.1007/S00791-011-0153-9
Recommended article: Q5439434
Recommended article: Efficient single-grid and multi-grid solvers for real-space orbital-free density functional theory
Recommended article: An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory
Recommended article: Very large scale wavefunction orthogonalization in density functional theory electronic structure calculations
Recommended article: A parallel orbital-updating based optimization method for electronic structure calculations
Recommended article: Parallel sparse matrix multiplication for linear scaling electronic structure calculations
Recommended article: Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions
Recommended article: Massively parallel linear-scaling algorithm in an ab initio local-orbital total-energy method
description: scientific article; zbMATH DE number 6032863