scientific article; zbMATH DE number 833670

MaRDI QIDQ4860149zbMATH OpenFDO

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

Publication date 29 April 1996

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

zbMATH Keywords

electronic Schrödinger equationlocal spin density approximationmaterial designparallel adaptive multigrid eigenvalue solver

Mathematics Subject Classification ID

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

Recommendations

• scientific article; zbMATH DE number 1424065
• Damped gradient iteration and multigrid relaxation: tools for electronic structure calculations using orbital density-functionals
• Computational materials science and engineering
• Numerical methods for electronic structure calculations of materials
• scientific article; zbMATH DE number 833716

Cited in

(14)

• New advances in chemistry and materials science with CPMD and parallel computing
• Solution of large eigenvalue problems in electronic structure calculations
• Symmetry breaking and the generation of spin ordered magnetic states in density functional theory due to Dirac exchange for a hydrogen molecule
• Multiresolution analysis for material design
• A call to arms for task parallelism in multi-scale materials modeling
• Computational materials science and engineering
• scientific article; zbMATH DE number 7404351 (Why is no real title available?)
• A Kohn-Sham equation solver based on hexahedral finite elements
• scientific article; zbMATH DE number 833669 (Why is no real title available?)
• scientific article; zbMATH DE number 833716 (Why is no real title available?)
• scientific article; zbMATH DE number 1424065 (Why is no real title available?)
• Numerical methods for electronic structure calculations of materials
• Parallel computing techniques applied to the simultaneous design of structure and material
• On the computation of the eigenproblems of hydrogen and helium in strong magnetic and electric fields with the sparse grid combination technique

This page was built for publication:

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q4860149)