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

DOI10.1016/j.jcp.2006.10.013zbMath1132.65106OpenAlexW1983881082MaRDI QIDQ882089

Richard D. Hornung, Andrew M. Wissink, Jean-Luc Fattebert

Publication date: 23 May 2007

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://digital.library.unt.edu/ark:/67531/metadc900455/

zbMATH Keywords

finite element methodmultigridPoisson problemKohn-Sham equationscomposite meshfast adaptive composite preconditioner

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) KdV equations (Korteweg-de Vries equations) (35Q53) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Iterative numerical methods for linear systems (65F10) Laplace operator, Helmholtz equation (reduced wave equation), Poisson equation (35J05) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50)

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Uses Software

• hypre
• SAMRAI

Cites Work

• Finite difference schemes and block Rayleigh quotient iteration for electronic structure calculations on composite grids
• The Fast Adaptive Composite Grid (FAC) Method for Elliptic Equations
• Managing application complexity in the SAMRAI object‐oriented framework
• Multigrid techniques for finite elements on locally refined meshes
• Preconditioning Complicated Finite Elements by Simple Finite Elements
• Iterative Procedures for Nonlinear Integral Equations
• Forces in Molecules
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