On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation
نویسندگان
چکیده
Based on the numerical method proposed in Hu et al. (2018) [22] for Kohn-Sham equation, further improvement efficiency is obtained this paper by i). designing a with strategy of separately handling nonlinear Hartree potential and exchange-correlation potential, ii). parallelizing algorithm an eigenpairwise approach. The feasibility two approaches analyzed detail, new described completely. Compared previous results, significant can be observed from plenty experiments, which make more suitable practical problems.
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ژورنال
عنوان ژورنال: Journal of Computational Physics
سال: 2023
ISSN: ['1090-2716', '0021-9991']
DOI: https://doi.org/10.1016/j.jcp.2022.111674