Finite element approach for density functional theory calculations on locally-refined meshes
Publication:882089
DOI10.1016/j.jcp.2006.10.013zbMath1132.65106MaRDI QIDQ882089
Andrew M. Wissink, Richard D. Hornung, 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/
finite element method; multigrid; Poisson problem; Kohn-Sham equations; composite mesh; fast adaptive composite preconditioner
65N55: Multigrid methods; domain decomposition for boundary value problems involving PDEs
35Q53: KdV equations (Korteweg-de Vries equations)
65N30: Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs
65F10: Iterative numerical methods for linear systems
35J05: Laplace operator, Helmholtz equation (reduced wave equation), Poisson equation
65N50: Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs
Uses Software
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
- Preconditioning Complicated Finite Elements by Simple Finite Elements
- Iterative Procedures for Nonlinear Integral Equations
- Forces in Molecules
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