Solution of large eigenvalue problems in electronic structure calculations
type: Item
instance of: scholarly article
title: Solution of large eigenvalue problems in electronic structure calculations
zbMATH Open document ID: 0862.65059
DOI: 10.1007/BF01731934
author: Y. Saad
author: Andreas Stathopoulos
author: S. Öǧüt
author: James R. Chelikowsky
author: Kesheng Wu
published in: BIT
publication date: 1996-10-13T00:00:00Z
review text: The paper reviews the source of the repeated solution of large, symmetric eigenvalue problems occurring in condensed matter physics. The authors describe some techniques for solving them, and address the difficulties and challenges which are faced. It appears that there is a potential to make improvements by combining efficient matrix methods, better solution of the underlying optimization problem, and parallel processing.
Mathematics Subject Classification ID: 65N25
Mathematics Subject Classification ID: 65Y05
Mathematics Subject Classification ID: 65F15
Mathematics Subject Classification ID: 35P15
Mathematics Subject Classification ID: 35Q72
zbMATH DE Number: 934138
zbMATH Keywords: electronic structure calculations
zbMATH Keywords: large, symmetric eigenvalue problems
zbMATH Keywords: condensed matter physics
zbMATH Keywords: matrix methods
zbMATH Keywords: parallel processing
reviewed by: Andrzej Marciniak
describes a project that uses: P-SPARSLIB
describes a project that uses: PVM
describes a project that uses: LPARX
describes a project that uses: DVDSON
MaRDI profile type: Publication
cites work: Q4860149
cites work: The Davidson Method
cites work: Q3692703
cites work: Reorthogonalization and Stable Algorithms for Updating the Gram-Schmidt QR Factorization
cites work: The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
cites work: Q4310148
cites work: Q4891458
cites work: The Numerical Solution of Schrödinger's Equation
cites work: Q4860208
cites work: Generalizations of Davidson’s Method for Computing Eigenvalues of Sparse Symmetric Matrices
cites work: The Lanczos Algorithm with Selective Orthogonalization
cites work: Numerical methods for large eigenvalue problems
cites work: Design of an iterative solution module for a parallel sparse matrix library (P\_SPARSLIB)
cites work: A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
cites work: Multilevel Filtering Preconditioners: Extensions to More General Elliptic Problems
description: scientific article; zbMATH DE number 934138