Solving the SCF problem in molecular orbital calculations through a sequence of quadratic programming: Extension to large systems

Solving the SCF problem in molecular orbital calculations through a sequence of quadratic programming: Extension to large systems

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Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2005-09, Vol.72 (12), p.1-6, Article 125104
Hauptverfasser: Dyan, Anthony, Dubot, Pierre, Cenedese, Pierre
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container_title Physical review. B, Condensed matter and materials physics
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creator Dyan, Anthony
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Cenedese, Pierre
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doi_str_mv 10.1103/PhysRevB.72.125104
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title Solving the SCF problem in molecular orbital calculations through a sequence of quadratic programming: Extension to large systems
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