A minimal subspace residual method for large-scale eigenvalue problems

Citation
Yh. Huang et al., A minimal subspace residual method for large-scale eigenvalue problems, J CHEM PHYS, 110(17), 1999, pp. 8303-8308
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
17
Year of publication
1999
Pages
8303 - 8308
Database
ISI
SICI code
0021-9606(19990501)110:17<8303:AMSRMF>2.0.ZU;2-L
Abstract
We present an iterative method for treating extremely large-scale eigenvalu e problems. Based on an exact formula and the GMRES method, our approach ge nerates a subspace which has the property that the residual of interior eig enpairs in the subspace is minimized. The result is that the corresponding large matrix is block-diagonalized iteratively. The accuracy of the final e igenpairs of interest is directly controlled by the accuracy of the GMRES p rocedure. Our method limits the number of Arnoldi iterations involved, and the dimension of the subspace, by including the residual in the subspace an d minimizing it at each step of the iteration. (C) 1999 American Institute of Physics. [S0021-9606(99)01516-0].