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

Christof Vömel, Stanimire Tomov, Osni A. Marques, Andrew Canning, Lin-Wang Wang, Jack J. Dongarra. State-of-the-art eigensolvers for electronic structure calculations of large scale nano-systems. J. Comput. Physics, 227(15):7113-7124, 2008. [doi]

Abstract

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