Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
type: Item
instance of: scholarly article
title: Chebyshev-filtered subspace iteration method free of sparse diagonalization for solving the Kohn-Sham equation
zbMATH Open document ID: 1351.82098
author: Yunkai Zhou
author: James R. Chelikowsky
author: Y. Saad
published in: Journal of Computational Physics
publication date: 2016-12-20T00:00:00Z
Mathematics Subject Classification ID: 82C80
zbMATH DE Number: 6666410
zbMATH Keywords: density functional theory
zbMATH Keywords: electronic structure problem
zbMATH Keywords: real space pseudopotentials
zbMATH Keywords: self-consistency
zbMATH Keywords: Chebyshev filters
zbMATH Keywords: Hamiltonian
zbMATH Keywords: diagonalization
zbMATH Keywords: nonlinear eigenvalue problem
zbMATH Keywords: subspace filtering
describes a project that uses: PARSEC
describes a project that uses: TRLan
describes a project that uses: ARPACK
describes a project that uses: KSSOLV
describes a project that uses: JDQZ
describes a project that uses: lobpcg.m
MaRDI profile type: Publication
full work available at URL: j.jcp.2014.06.056
OpenAlex ID: W2053277271
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DOI: 10.1016/J.JCP.2014.06.056
description: scientific article; zbMATH DE number 6666410