Multilevel domain decomposition for electronic structure calculations
نویسندگان
چکیده
منابع مشابه
Multilevel domain decomposition for electronic structure calculations
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. Using this approach, calculations have been successfully performed on several linear polymer chains con...
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2007
ISSN: 0021-9991
DOI: 10.1016/j.jcp.2006.06.049