Finite element approach for density functional theory calculations on locally-refined meshes (Q882089): Difference between revisions
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Revision as of 00:17, 23 February 2024
scientific article
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| English | 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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