Concepedia

Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects

Andreas Alvermann, Achim Basermann, Hans‐Joachim Bungartz, Christian Carbogno, Dominik Ernst, Holger Fehske, Yasunori Futamura, Martin Galgon, Georg Hager, Sarah Huber,

Japan Journal of Industrial and Applied Mathematics · 2019 · 15 citations · 26 references

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References

26

Ab initio molecular simulations with numeric atom-centered orbitals

Volker Blüm, Ralf Gehrke, Felix Hanke et al. · Computer Physics Communications · 2009 · 2.8K citations · Full text

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A Generalized Solution of the Orthogonal Procrustes Problem

Peter H. Schönemann · Psychometrika · 1966 · 2K citations

Efficient integration for all-electron electronic structure calculation using numeric basis functions

Ville Havu, Volker Blüm, P. Havu et al. · Journal of Computational Physics · 2009 · 581 citations

, , +11

Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics

Thomas D. Kühne, Matthias Krack, Fawzi Mohamed et al. · Physical Review Letters · 2007 · 437 citations · Full text

, , +15

Density-matrix-based algorithm for solving eigenvalue problems

Eric Polizzi · Physical Review B · 2009 · 418 citations · Full text

, , +17