scientific article; zbMATH DE number 1424065

zbMath0942.65126MaRDI QIDQ4945257

Scott R. Kohn, Scott B. Baden, Maria Elizabeth G. Ong, John H. Weare

Publication date: 21 August 2000

Title: zbMATH Open Web Interface contents unavailable due to conflicting licenses.

zbMATH Keywords

finite element methodparallel computationobject-oriented designlocal density approximationelectronic structure calculationsconjugate gradientstructured adaptive mesh refinementmultigrid preconditioningchemical systemselectronic Schrödinger equationparallel frameworkatomic motionsnonlinear Kohn-Sham eigenvalue equations

Mathematics Subject Classification ID

Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs (35P30) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) NLS equations (nonlinear Schrödinger equations) (35Q55) Parallel numerical computation (65Y05) Atomic physics (81V45) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)

Related Items (2)

Finite element approach for density functional theory calculations on locally-refined meshes ⋮ Symmetry breaking and the generation of spin ordered magnetic states in density functional theory due to Dirac exchange for a hydrogen molecule

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