Adaptive finite-element method for electronic-structure calculations

被引：94
|
作者：
Tsuchida, E
Tsukada, M
机构：
[1] Department of Physics, Faculty of Science, University of Tokyo, Tokyo 113, Hongo 7-3-1, Bunkyo-ku
来源：
PHYSICAL REVIEW B | 1996年 / 54卷 / 11期
关键词：
D O I：
10.1103/PhysRevB.54.7602
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present a method which combines the finite-element method with the adaptive curvilinear coordinates, and the method is applied to the electronic-structure calculation of a model potential system. Comparison with other real-space methods, such as the finite-difference method is also made, and the efficiency of our method is examined. In addition, it has some desirable properties, and will be useful as a part of the O(N) method for self-consistent calculations.
引用
收藏
页码：7602 / 7605
页数：4
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