A Davidson program for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix

DOI10.1016/0010-4655(94)90073-6zbMath0878.65029OpenAlexW2001557869MaRDI QIDQ1365898

Andreas Stathopoulos, Charlotte Froese Fischer

Publication date: 9 September 1997

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0010-4655(94)90073-6

zbMATH Keywords

algorithmLanczos methodeigenvectorssparse matrixDavidson methodmatrix-vector multiplicationselected eigenvalueslarge, real, symmetric matrixDavidson program

Mathematics Subject Classification ID

Computational methods for sparse matrices (65F50) Numerical computation of eigenvalues and eigenvectors of matrices (65F15) Software, source code, etc. for problems pertaining to linear algebra (15-04)

Related Items

A Block Preconditioned Harmonic Projection Method for Large-Scale Nonlinear Eigenvalue Problems, Robust preconditioning of large, sparse, symmetric eigenvalue problems, Solution of large eigenvalue problems in electronic structure calculations, Accelerating Convergence by Augmented Rayleigh--Ritz Projections For Large-Scale Eigenpair Computation, GRASP2018 -- a Fortran 95 version of the general relativistic atomic structure package, Stochastic Gauss-Newton algorithms for online PCA, Reducing the computational load -- atomic multiconfiguration calculations based on configuration state function generators, UKRmol+: a suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method, TRPL+K: Thick-Restart Preconditioned Lanczos+K Method for Large Symmetric Eigenvalue Problems, RELCI: A program for relativistic configuration interaction calculations, JADAMILU: a software code for computing selected eigenvalues of large sparse symmetric matrices, An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix, The grasp2k relativistic atomic structure package, Charlotte Froese Fischer -- some personal reflections, A parallel Davidson-type algorithm for several eigenvalues, New methods for calculations of the lowest eigenvalues of the real symmetric generalized eigenvalue problem, An Efficient Gauss--Newton Algorithm for Symmetric Low-Rank Product Matrix Approximations, Implementation of time-dependent density functional response equations

Uses Software

• HSL
• LAPACK
• BLAS
• EISPACK
• DVDSON

Cites Work

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• A new look at the Lanczos algorithm for solving symmetric systems of linear equations
• The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices
• Matrix eigensystem routines. EISPACK guide extension
• Super-matrix methods
• SPARSE MATRIX MULTIPLICATION ON VECTOR COMPUTERS
• The Software Scene in the Extraction of Eigenvalues from Sparse Matrices
• Generalizations of Davidson’s Method for Computing Eigenvalues of Sparse Symmetric Matrices
• An extended set of FORTRAN basic linear algebra subprograms
• A method for calculating the extreme eigensolution of a real symmetric matrix of high order
• Basic Linear Algebra Subprograms for Fortran Usage
• Computational Variants of the Lanczos Method for the Eigenproblem