A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation (Q987873): Difference between revisions

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Revision as of 20:18, 19 March 2024

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A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation
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    A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation (English)
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    2 September 2010
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    numerical examples
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    eigenvectors
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    molecular orbital computation
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    eigenpairs
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    parallel implementation
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    parallel performance
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    interior eigenvalue problems
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    contour intregration
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    Rayleigh-Ritz procedure
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    biochemistry application
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