SOLVING THE SCHRODINGER-EQUATION AS A ONE-DIMENSIONAL PROBLEM .1. THE FORMALISM

被引：2
|
作者：
PREUSS, H
机构：
[1] Institut für Theoretische Chemie, Universität Stuttgart, D-70569 Stuttgart
来源：
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES | 1994年 / 49卷 / 7-8期
关键词：
D O I：
10.1515/zna-1994-7-802
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：
In this article a new method for solving the multi-dimensional Schrodinger-equation for electrons and nuclei will be discussed. It is shown by application of integral transformations and by use of space-filling curves how the multi-dimensional Schrodinger-equation can be replaced by an one-dimensional integral equation. Furthermore the problems of accuracy arising due to the use of this approximative treatment are pointed out. The presented method can be stated without the Born-Oppenheimer approximation and the application of determinants for fitting the wave function is discussed in a new one-dimensional point of view.
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页码：746 / 750
页数：5
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