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research article

Fast Computation Of Spectral Projectors Of Banded Matrices

Kressner, Daniel  
•
Susnjara, Ana  
2017
SIAM Journal On Matrix Analysis And Applications

We consider the approximate computation of spectral projectors for symmetric banded matrices. While this problem has received considerable attention, especially in the context of linear scaling electronic structure methods, the presence of small relative spectral gaps challenges existing methods based on approximate sparsity. In this work, we show how a data-sparse approximation based on hierarchical matrices can be used to overcome this problem. We prove a priori bounds on the approximation error and propose a fast algorithm based on the QR-based dynamically weighted Halley (QDWH) algorithm, along the lines of works by Nakatsukasa and colleagues. Numerical experiments demonstrate that the performance of our algorithm is robust with respect to the spectral gap. A preliminary MATLAB implementation becomes faster than eig already for matrix sizes of a few thousand.

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Type
research article
DOI
10.1137/16M1087278
Web of Science ID

WOS:000412158000013

Author(s)
Kressner, Daniel  
Susnjara, Ana  
Date Issued

2017

Publisher

Siam Publications

Published in
SIAM Journal On Matrix Analysis And Applications
Volume

38

Issue

3

Start page

984

End page

1009

Subjects

spectral projectors

•

hierarchical matrices

•

spectral gap

•

matrix functions

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ANCHP  
Available on Infoscience
November 8, 2017
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/141872
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