A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation (Q987873)
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scientific article; zbMATH DE number 5778011
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| English | A parallel eigensolver using contour integration for generalized eigenvalue problems in molecular simulation |
scientific article; zbMATH DE number 5778011 |
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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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0.7574833035469055
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0.7540558576583862
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0.7537642121315002
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