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Paper detail

On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation

Based on the numerical method proposed in [G. Hu, X. Xie, F. Xu, J. Comput. Phys., 355 (2018), 436-449.] for Kohn-Sham equation, further improvement on the efficiency is obtained in this paper by i). designing a numerical method with the strategy of separately handling the nonlinear Hartree potential and exchange-correlation potential, and ii).parallelizing the algorithm in an eigenpairwise approach. The feasibility of two approaches are analyzed in detail, and the new algorithm is described completely. Compared with previous results, a significant improvement of numerical efficiency can be observed from plenty of numerical experiments, which make the new method more suitable for the practical problems.

preprint2021arXivOpen access
Guanghui HuHehu XieFei Xu
math.NANumerical Analysis
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Guanghui HuHehu XieFei Xu

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