Multilevel domain decomposition for electronic structure calculations
计算物理
2007-05-23 v1 化学物理
摘要
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.
引用
@article{arxiv.physics/0511057,
title = {Multilevel domain decomposition for electronic structure calculations},
author = {M. Barrault and E. Cances and W. W. Hager and C. Le Bris},
journal= {arXiv preprint arXiv:physics/0511057},
year = {2007}
}
备注
36 pages, 23 figures, submitted to Journal of Computational Physics