Iterative minimization of the Rayleigh quotient by block steepest descent iterations

Author:

Neymeyr Klaus1,Zhou Ming1

Affiliation:

1. Institut für Mathematik; Universität Rostock; Ulmenstraße 69, 18055 Rostock Germany

Publisher

Wiley

Subject

Applied Mathematics,Algebra and Number Theory

Reference32 articles.

1. Real-space mesh techniques in density functional theory;Beck;Reviews of Modern Physics,2000

2. Large-scale ab initio calculations based on three levels of parallelization;Bottin;Computational Materials Science,2008

3. Brandt A Multiscale computation in chemistry Technical Report 1999

4. Towards grid-based O(N) density-functional theory methods: optimized nonorthogonal orbitals and multigrid acceleration;Fattebert;Physical Review B,2000

5. Efficient real-space solution of the Kohn-Sham equations with multiscale techniques;Wang;Journal of Chemical Physics,2000

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