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

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/

zbMATH Keywords

finite element method; multigrid; Poisson problem; Kohn-Sham equations; composite mesh; fast adaptive composite preconditioner

Mathematics Subject Classification ID

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

• 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
• Preconditioning Complicated Finite Elements by Simple Finite Elements
• Iterative Procedures for Nonlinear Integral Equations
• Forces in Molecules
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item