Wavelet approach to quasi two-dimensional extended many-particle systems. I: Supercell Hartree-Fock method
type: Item
instance of: scholarly article
title: Wavelet approach to quasi two-dimensional extended many-particle systems. I: Supercell Hartree-Fock method
zbMATH Open document ID: 1088.82029
author: Heinz-Jürgen Flad
author: H. J. Luo
author: Dietmar Kolb
author: Wolfgang Hackbusch
published in: Journal of Computational Physics
publication date: 2005-06-13T00:00:00Z
review text: A wavelet based multi-resolution Hartree-Fock approach suitable for quasi two-dimensional extended systems is presented. A periodic super-cell approach is used, which allows for an incorporation of single impurities. Special emphasis has been laid on low rank tensor product decompositions of the Hartree-Fock orbitals, which accounts for the strongly anisotropic character of the physical system in one direction. The wavelets provide hierarchical bases that can be adapted to the physical properties of the system under consideration. The vanishing moments property of the wavelets, leads to a sparse representation for the quantities involved. The authors consider the jellium slab as example and discuss various sparsity features (related to Coulomb and exchange potentials). Moreover, benchmark calculations for a homogeneous electron gas are presented to illustrate the accuracy of the method.
Mathematics Subject Classification ID: 82D37
Mathematics Subject Classification ID: 65T60
Mathematics Subject Classification ID: 81Q05
zbMATH DE Number: 2175582
zbMATH Keywords: wavelets
zbMATH Keywords: Hartree-Fock
zbMATH Keywords: supercell
zbMATH Keywords: Ewald potential
zbMATH Keywords: jellium slab
MaRDI profile type: Publication
full work available at URL: j.jcp.2004.11.018
OpenAlex ID: W2066220541
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DOI: 10.1016/J.JCP.2004.11.018
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description: scientific article; zbMATH DE number 2175582