scientific article; zbMATH DE number 833670

zbMATH Open0836.65132arXivmtrl-th/9412005MaRDI QIDQ4860149FDOQ4860149

Maria Elizabeth G. Ong, Ryoichi Kawai, Eric J. Bylaska, Scott B. Baden, Scott R. Kohn, Alan Edelman, John H. Weare

Publication date: 29 April 1996

Full work available at URL: https://arxiv.org/abs/mtrl-th/9412005

Title of this publication is not available (Why is that?)

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zbMATH Keywords

material designlocal spin density approximationelectronic Schrödinger equationparallel adaptive multigrid eigenvalue solver

Mathematics Subject Classification ID

Parallel numerical computation (65Y05) Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) NLS equations (nonlinear Schrödinger equations) (35Q55) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25) Applications to the sciences (65Z05)

Cited In (12)

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• Solution of large eigenvalue problems in electronic structure calculations
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• On the computation of the eigenproblems of hydrogen and helium in strong magnetic and electric fields with the sparse grid combination technique
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• Parallel computing techniques applied to the simultaneous design of structure and material
• Multiresolution analysis for material design
• A Kohn-Sham equation solver based on hexahedral finite elements
• Symmetry breaking and the generation of spin ordered magnetic states in density functional theory due to Dirac exchange for a hydrogen molecule
• A call to arms for task parallelism in multi-scale materials modeling
• Numerical methods for electronic structure calculations of materials

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