Finite element approach for density functional theory calculations on locally-refined meshes (Q882089): Difference between revisions

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.