Solution of large eigenvalue problems in electronic structure calculations

DOI10.1007/BF01731934zbMath0862.65059MaRDI QIDQ1923878

Yousef Saad, Kesheng Wu, James R. Chelikowsky, Andreas Stathopoulos, S. Öǧüt

Publication date: 13 October 1996

Published in: BIT (Search for Journal in Brave)

zbMATH Keywords

matrix methods; parallel processing; condensed matter physics; electronic structure calculations; large, symmetric eigenvalue problems

Mathematics Subject Classification ID

DB lookup for MSC labels failed

Uses Software

• P-SPARSLIB
• PVM
• LPARX
• DVDSON

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
• A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix
• Design of an iterative solution module for a parallel sparse matrix library (P\_SPARSLIB)
• Generalizations of Davidson’s Method for Computing Eigenvalues of Sparse Symmetric Matrices
• Multilevel Filtering Preconditioners: Extensions to More General Elliptic Problems
• Reorthogonalization and Stable Algorithms for Updating the Gram-Schmidt QR Factorization
• The Lanczos Algorithm with Selective Orthogonalization
• The Davidson Method
• The Numerical Solution of Schrödinger's Equation