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

Authors
Citation
H. Preuss, SOLVING THE SCHRODINGER-EQUATION AS A ONE -DIMENSIONAL PROBLEM .1. THE FORMALISM, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 49(7-8), 1994, pp. 746-750
Citations number
9
Categorie Soggetti
Chemistry Physical",Physics
ISSN journal
09320784
Volume
49
Issue
7-8
Year of publication
1994
Pages
746 - 750
Database
ISI
SICI code
0932-0784(1994)49:7-8<746:STSAAO>2.0.ZU;2-2
Abstract
In this article a new method for solving the multi-dimensional Schrodi nger-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 po inted out. The presented method can be stated without the Born-Oppenhe imer approximation and the application of determinants for fitting the wave function is discussed in a new one-dimensional point of view.