Low complexity algorithms for electronic structure calculations
type: Item
instance of: scholarly article
title: Low complexity algorithms for electronic structure calculations
zbMATH Open document ID: 0827.65082
published in: Journal of Computational Physics
publication date: 1995-05-28T00:00:00Z
review text: This paper is concerned with electronic structure calculations which are based on Wannier, like localized orbitals or the related density matrix. Two classes of methods are presented in this paper: direct methods which calculate all quantities, such as the charge density, directly without the intermediate step of orbitals and localized orbital methods.
Mathematics Subject Classification ID: 65L15
Mathematics Subject Classification ID: 81V10
Mathematics Subject Classification ID: 34L10
zbMATH DE Number: 758631
zbMATH Keywords: low complexity algorithms
zbMATH Keywords: Hamiltonian
zbMATH Keywords: eigenfunction expansion
zbMATH Keywords: electronic structure calculations
zbMATH Keywords: localized orbitals
zbMATH Keywords: density matrix
zbMATH Keywords: direct methods
author: Stefan Goedecker
reviewed by: Laura Iulia Aniţa
MaRDI profile type: Publication
full work available at URL: jcph.1995.1097
OpenAlex ID: W2068725607
DOI: 10.1006/JCPH.1995.1097
description: scientific article; zbMATH DE number 758631