Finite element approach for density functional theory calculations on locally-refined meshes (Q882089)
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scientific article; zbMATH DE number 5156475
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| English | Finite element approach for density functional theory calculations on locally-refined meshes |
scientific article; zbMATH DE number 5156475 |
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Finite element approach for density functional theory calculations on locally-refined meshes (English)
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23 May 2007
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This paper deals with the finite element method for density functional theory calculations on structured locally-refined meshes. The weak formulation of the Kohn-Sham (KS) equations and their finite element discretization are introduced. Also, the solvers for the KS equations and the Poisson problem on structured adaptive meshes based on a multigrid fast adaptive composite (FAC) preconditioner are presented. As an example an FAC Poisson solver is tested.
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finite element method
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multigrid
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Kohn-Sham equations
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composite mesh
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Poisson problem
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fast adaptive composite preconditioner
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0.92216665
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0.9107664
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0.90156686
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0.8909186
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0.8846543
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0.88145757
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