Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations (Q4945257)

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scientific article; zbMATH DE number 1424065
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    Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations
    scientific article; zbMATH DE number 1424065

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      21 August 2000
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      parallel computation
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      nonlinear Kohn-Sham eigenvalue equations
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      finite element method
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      structured adaptive mesh refinement
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      electronic structure calculations
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      parallel framework
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      object-oriented design
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      chemical systems
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      atomic motions
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      local density approximation
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      electronic Schrödinger equation
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      conjugate gradient
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      multigrid preconditioning
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      Software abstractions and computational issues in parallel structured adaptive mesh methods for electronic structure calculations (English)
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