1. Rayleigh-Ritz Majorization Error Bounds for the Linear Response Eigenvalue Problem
- Author
-
Hong-Xiu Zhong and Zhongming Teng
- Subjects
Rayleigh–Ritz method ,rayleigh-ritz approximation ,65f15 ,linear response eigenvalue problem ,General Mathematics ,Mathematical analysis ,0211 other engineering and technologies ,65l15 ,021107 urban & regional planning ,010103 numerical & computational mathematics ,02 engineering and technology ,error bounds ,01 natural sciences ,Mathematics::Numerical Analysis ,Principal angles ,canonical angles ,majorization ,QA1-939 ,0101 mathematics ,Majorization ,Eigenvalues and eigenvectors ,Geometry and topology ,Mathematics - Abstract
In the linear response eigenvalue problem arising from computational quantum chemistry and physics, one needs to compute a few of smallest positive eigenvalues together with the corresponding eigenvectors. For such a task, most of efficient algorithms are based on an important notion that is the so-called pair of deflating subspaces. If a pair of deflating subspaces is at hand, the computed approximated eigenvalues are partial eigenvalues of the linear response eigenvalue problem. In the case the pair of deflating subspaces is not available, only approximate one, in a recent paper [SIAM J. Matrix Anal. Appl., 35(2), pp.765-782, 2014], Zhang, Xue and Li obtained the relationships between the accuracy in eigenvalue approximations and the distances from the exact deflating subspaces to their approximate ones. In this paper, we establish majorization type results for these relationships. From our majorization results, various bounds are readily available to estimate how accurate the approximate eigenvalues based on information on the approximate accuracy of a pair of approximate deflating subspaces. These results will provide theoretical foundations for assessing the relative performance of certain iterative methods in the linear response eigenvalue problem.
- Published
- 2019