Multilevel domain decomposition for electronic structure calculations

Details Multilevel domain decomposition for electronic structure calculations Multilevel domain decomposition for electronic structure calculations

2005-11-07

arxiv.org/abs/physics/0511057v1

Physics

Computational Physics

36 pages, 23 figures, submitted to Journal of Computational Physics

Scientific paper

We introduce a new multilevel domain decomposition method (MDD) for
electronic structure calculations within semi-empirical and Density Functional
Theory (DFT) frameworks. This method iterates between local fine solvers and
global coarse solvers, in the spirit of domain decomposition methods.

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