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.

引用

页码：746 / 750

页数：5

共 9 条

[1] FLOATING SPHERICAL GAUSSIAN ORBITAL MODEL OF MOLECULAR STRUCTURE .I. COMPUTATIONAL PROCEDURE . LIH AS AN EXAMPLE [J].

FROST, AA .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :3707-&

[2] NUCLEAR CONSTITUTION AND THE INTERPRETATION OF FISSION PHENOMENA [J].

HILL, DL ;

WHEELER, JA .

PHYSICAL REVIEW, 1953, 89 (05) :1102-1145

[3] DIE BEHANDLUNG DES VIELTEILCHENPROBLEMS IN DER QUANTENCHEMIE MIT HILFE DER GAUSSSCHEN INTEGRALTRANSFORMATION [J].

HOFACKER, L ;

PREUSS, H .

ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1961, 16 (05) :513-519

[4]

Peitgen H-O., 1992, BAUSTEINE CHAOS

[5]

PERNPOINTNER M, COMMUNICATION

[6] INTERPRETATION OF CLOSED SHELL REPRESENTATIONS BY GAUSSIAN INTEGRAL TRANSFORMS WITH PURE GAUSSIAN FUNCTIONS [J].

PREUSS, H .

ZEITSCHRIFT FUR NATURFORSCHUNG PART A-ASTROPHYSIK PHYSIK UND PHYSIKALISCHE CHEMIE, 1970, A 25 (02) :160-&

[7]

PREUSS H, 1956, Z NATURFORSCH PT A, V11, P823

[8]

PREUSS H, 1967, 199 QUANT CHEM GROUP

[9]

WENGERT S, 1992, THESIS U STUTTGART

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