State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems

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Author
Vömela, Christof
Tomov, Stanimire Z.
Marquesa, Osni A.
Canning, A.
Wang, Lin-Wang
Dongarra, Jack J.
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Date
2008
Type
  • Journal Article
Publication status
published
External links
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Journal / series
Journal of computational physics
Volume
227(15)
Pages
7113 - 7124
Publisher
Elsevier
Subject
Computational nano-technology; Electronic structure; Preconditioned conjugate gradients; Implicitly restarted Arnoldi; Davidson’s method
Organisational unit
03249 - Gander, Walter
Notes
Received 25 May 2007, Revised 8 January 2008, Accepted 10 January 2008, Available online 26 January 2008\r\n.
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