Black-Box Hartree–Fock Solver by Tensor Numerical Methods

DOI10.1515/cmam-2013-0023zbMath1285.65091OpenAlexW2058907802MaRDI QIDQ5402673

Venera Khoromskaia

Publication date: 17 March 2014

Published in: Computational Methods in Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1515/cmam-2013-0023

zbMATH Keywords

two-electron integralsintegro-differential operatorHartree-Fock equationquantized tensor approximationconvolution transformNewton kernel3D grid-based tensor approximationFock operatorcore HamiltonianHartree-Fock eigenvalue problemHartree-Fock solverLaplacian Galerkin matrixtensor-structured numerical methods

Mathematics Subject Classification ID

Numerical methods for integral equations (65R20) Integro-partial differential equations (45K05) Eigenvalue problems for integral equations (45C05) Integro-differential operators (47G20)

Related Items (9)

Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation ⋮ Block circulant and Toeplitz structures in the linearized Hartree-Fock equation on finite lattices: tensor approach ⋮ Tensor decompositions for the bubbles and cube numerical framework ⋮ Low-Rank Solution to an Optimization Problem Constrained by the Navier--Stokes Equations ⋮ Grid-based lattice summation of electrostatic potentials by assembled rank-structured tensor approximation ⋮ Fast tensor method for summation of long‐range potentials on 3D lattices with defects ⋮ Grid-based electronic structure calculations: the tensor decomposition approach ⋮ Fast Multidimensional Convolution in Low-Rank Tensor Formats via Cross Approximation ⋮ A literature survey of low-rank tensor approximation techniques

Uses Software

• Matlab

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