Stabilized Finite Element Methods for the Schrodinger Wave Equation

被引：4
|
作者：
Kannan, Raguraman [2 ]
Masud, Arif [1 ]
机构：
[1] Univ Illinois, Dept Civil & Environm Engn, Urbana, IL 61801 USA
[2] Univ Illinois, Grad Res Assistant, Dept Civil & Mat Engn, Chicago, IL 60607 USA
来源：
JOURNAL OF APPLIED MECHANICS-TRANSACTIONS OF THE ASME | 2009年 / 76卷 / 02期
关键词：
Schrodinger wave equation; quantum mechanics; finite elements; stabilized formulations; DIFFERENCE-PSEUDOPOTENTIAL METHOD; ELECTRONIC-STRUCTURE CALCULATIONS;
D O I：
10.1115/1.3059564
中图分类号：
O3 [力学];
学科分类号：
08 ; 0801 ;
摘要：
This paper presents two stabilized formulations for the Schrodinger wave equation. First formulation is based on the Galerkin/least-squares (GLS) method, and it sets the stage for exploring variational multiscale ideas for developing the second stabilized formulation. These formulations provide improved accuracy on cruder meshes as compared with the standard Galerkin formulation. Based on the proposed formulations a family of tetrahedral and hexahedral elements is developed. Numerical convergence studies are presented to demonstrate the accuracy and convergence properties of the two methods for a model electronic potential for which analytical results are available. [DOI: 10.1115/1.3059564]
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页码：1 / 7
页数：7
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