A 2-DIMENSIONAL MULTILEVEL ADAPTIVE FINITE-ELEMENT METHOD FOR THE TIME-INDEPENDENT SCHRODINGER-EQUATION

被引：16

作者：

ACKERMANN, J

ROITZSCH, R

机构：

[1] Konrad-Zuse-Zentrum Berlin (ZIB), D-10711 Berlin

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 214卷 / 01期

关键词：

D O I：

10.1016/0009-2614(93)85463-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The subject of this study is a multilevel 2D finite element Method (FEM) based on a local error estimator and self-adaptive grid refinement as a universal tool for solving stationary Schrodinger eigenvalue problems. Numerical results for standard problems appearing in vibrational motion and molecular electronic structure calculations are given and discussed. Results of relative precision 10(-8) are obtained. For the linear H-3(2+) system the adaptive FEM turns out to be superior to global basis set expansions in the literature.

引用

页码：109 / 117

页数：9

共 26 条

[1] ON THE METASTABILITY OF THE (1)SIGMA(G)(+) GROUND-STATE OF HE-2(2+) AND NE-2(2+) - A CASE-STUDY OF BINDING METAMORPHOSIS [J].