有限维正则化 Kohn-Sham 迭代的保证收敛性
化学物理
2020-10-01 v3 数学物理
math.MP
量子物理
摘要
本文证明了在有限维中，采用 Moreau-Yosida 正则化泛函 Lieb 泛函与自适应阻尼步的广义密度泛函理论的精确 Kohn-Sham 迭代收敛到正确的基态密度。
引用
@article{arxiv.1903.09579,
title = {Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions},
author = {Markus Penz and Andre Laestadius and Erik I. Tellgren and Michael Ruggenthaler},
journal= {arXiv preprint arXiv:1903.09579},
year = {2020}
}
备注
3 figures, contains erratum with additional author Paul E. Lammert