Multilevel domain decomposition for electronic structure calculations

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

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Computational Physics, Chemical Physics

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http://salesiana.dossiersoluciones.com/handle/123456789/105240

Consulte el texto completo en el siguiente enlace:

https://arxiv.org/abs/physics/0511057
 http://arxiv.org/abs/physics/0511057

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arXiv