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math.NA2024
A novel splitting strategy to accelerate solving generalized eigenvalue problem from Kohn--Sham density functional theory
Yang Kuang, Guanghui Hu
In this paper, we propose a novel eigenpair-splitting method, inspired by the divide-and-conquer strategy, for solving the generalized eigenvalue problem arising from the Kohn-Sham…
math.NA2024
A Nonnested Augmented Subspace Method for Kohn-Sham Equation
Guanghui Hu, Hehu Xie, Fei Xu +1
In this paper, a novel adaptive finite element method is proposed to solve the Kohn-Sham equation based on the moving mesh (nonnested mesh) adaptive technique and the augmented sub…