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Finite element approach for density functional theory calculations on locally-refined meshes
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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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