Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh
文献类型：期刊论文
| 作者 | Zhang, Dier1; Shen, Lihua2; Zhou, Aihui2 ; Gong, Xin-Gao1
|
| 刊名 | PHYSICS LETTERS A
 |
| 出版日期 | 2008-07-21 |
| 卷号 | 372期号:30页码:5071-5076 |
| 关键词 | finite element method electronic structure calculations |
| ISSN号 | 0375-9601 |
| DOI | 10.1016/j.physleta.2008.05.075 |
| 英文摘要 | A finite element (FE) method with self-adaptive mesh-refinement technique is developed for solving the density functional Kohn-Sham equations. The FE method adopts local piecewise polynomials basis functions, which produces sparsely structured matrices of Hamiltonian. The method is well suitable for parallel implementation without using Fourier transform. In addition, the self-adaptive mesh-refinement technique can control the computational accuracy and efficiency with optimal mesh density in different regions. (c) 2008 Elsevier B.V. All rights reserved. |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000258211100018 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://ir.amss.ac.cn/handle/2S8OKBNM/6961]  |
| 专题 | 计算数学与科学工程计算研究所 |
| 通讯作者 | Gong, Xin-Gao |
| 作者单位 | 1.Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China 2.Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn Comp, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Dier,Shen, Lihua,Zhou, Aihui,et al. Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh[J]. PHYSICS LETTERS A,2008,372(30):5071-5076. |
| APA | Zhang, Dier,Shen, Lihua,Zhou, Aihui,&Gong, Xin-Gao.(2008).Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh.PHYSICS LETTERS A,372(30),5071-5076. |
| MLA | Zhang, Dier,et al."Finite element method for solving Kohn-Sham equations based on self-adaptive tetrahedral mesh".PHYSICS LETTERS A 372.30(2008):5071-5076. |
入库方式： OAI收割
来源：数学与系统科学研究院
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