Residential College | false |
Status | 已發表Published |
A multilevel correction adaptive finite element method for Kohn-Sham equation | |
Hu, Guanghui; Xie, Hehu; Xu, Fei | |
2018-02-15 | |
Source Publication | JOURNAL OF COMPUTATIONAL PHYSICS |
ISSN | 0021-9991 |
Volume | 355Pages:436-449 |
Abstract | In this paper, an adaptive finite element method is proposed for solving Kohn-Sham equation with the multilevel correction technique. In the method, the Kohn-Sham equation is solved on a fixed and appropriately coarse mesh with the finite element method in which the finite element space is kept improving by solving the derived boundary value problems on a series of adaptively and successively refined meshes. A main feature of the method is that solving large scale Kohn-Sham system is avoided effectively, and solving the derived boundary value problems can be handled efficiently by classical methods such as the multigrid method. Hence, the significant acceleration can be obtained on solving Kohn-Sham equation with the proposed multilevel correction technique. The performance of the method is examined by a variety of numerical experiments. (C) 2017 Elsevier Inc. All rights reserved. |
Keyword | Density Functional Theory Kohn-sham Equation Multilevel Correction Adaptive Finite Element Method |
DOI | 10.1016/j.jcp.2017.11.024 |
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 |
WOS ID | WOS:000418537400023 |
Publisher | ACADEMIC PRESS INC ELSEVIER SCIENCE |
The Source to Article | WOS |
Scopus ID | 2-s2.0-85037148943 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | University of Macau |
Recommended Citation GB/T 7714 | Hu, Guanghui,Xie, Hehu,Xu, Fei. A multilevel correction adaptive finite element method for Kohn-Sham equation[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 2018, 355, 436-449. |
APA | Hu, Guanghui., Xie, Hehu., & Xu, Fei (2018). A multilevel correction adaptive finite element method for Kohn-Sham equation. JOURNAL OF COMPUTATIONAL PHYSICS, 355, 436-449. |
MLA | Hu, Guanghui,et al."A multilevel correction adaptive finite element method for Kohn-Sham equation".JOURNAL OF COMPUTATIONAL PHYSICS 355(2018):436-449. |
Files in This Item: | There are no files associated with this item. |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment