Multilevel domain decomposition for electronic structure calculations
M. Barrault, E. Cances, W. W. Hager, C. Le Bris
Abstract
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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