Residential College | false |
Status | 已發表Published |
On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation | |
Hu, Guanghui1,2; Xie, Hehu3,4; Xu, Fei5 | |
2023 | |
Source Publication | Journal of Computational Physics |
ISSN | 0021-9991 |
Volume | 472 |
Abstract | Based on the numerical method proposed in Hu et al. (2018) [22] 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 is 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. |
Keyword | Finite Element Method Kohn-sham Equation Multilevel Correction Method Parallel Computing Separately Handing Nonlinear Terms |
DOI | 10.1016/j.jcp.2022.111674 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Computer Science ; Physics |
WOS Subject | Computer Science, Interdisciplinary Applications ; Physics, Mathematical |
Publisher | Academic Press Inc. |
Scopus ID | 2-s2.0-85140243252 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | DEPARTMENT OF MATHEMATICS |
Corresponding Author | Xu, Fei |
Affiliation | 1.Department of Mathematics & Guangdong-Hong Kong-Macao Joint Laboratory for Data-Driven Fluid Mechanics and Engineering Applications, Faculty of Science and Technology, University of Macau, Macao 2.Zhuhai UM Science & Technology Research Institute, Zhuhai, Guangdong, China 3.LSEC, ICMSEC, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing, 100190, China 4.School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China 5.Faculty of Science, Beijing University of Technology, Beijing, 100124, China |
First Author Affilication | Faculty of Science and Technology |
Recommended Citation GB/T 7714 | Hu, Guanghui,Xie, Hehu,Xu, Fei. On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation[J]. Journal of Computational Physics, 2023, 472. |
APA | Hu, Guanghui., Xie, Hehu., & Xu, Fei (2023). On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation. Journal of Computational Physics, 472. |
MLA | Hu, Guanghui,et al."On accelerating a multilevel correction adaptive finite element method for Kohn-Sham equation".Journal of Computational Physics 472(2023). |
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