Jump to ContentJump to Main Navigation
Show Summary Details
More options …

Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus


IMPACT FACTOR 2016: 1.432

CiteScore 2017: 1.30

SCImago Journal Rank (SJR) 2017: 0.403
Source Normalized Impact per Paper (SNIP) 2017: 0.632

Online
ISSN
1865-7109
See all formats and pricing
More options …
Volume 51, Issue 4

Issues

Die Lösung der Schrödinger-Gleichung als eindimensionales Problem. III. Einelektronsysteme mit verbesserten Diskretisierungsmethoden

H. Preuß
  • Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ M. Pernpointner
  • Institut für Theoretische Chemie, Universität Stuttgart, Pfaffenwaldring 55, D-70569 Stuttgart
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-1996-0405

Abstract

After the calculations on one-electron atoms with simple discretization methods in part II of this work, more powerful techniques are presented here. The method of ARICKX was transferred to our one-dimensional calculations, and a fast „energy profile method" is used with which the excited states of one-electron atoms can be reproduced with high accuracy. The simplest polyatomic particle, H+2, can be integrated into the formalism without any difficulties because of the general applicability of the integral kernel. Good results are available for this system, and a geometry optimization yields the same core distance as given in the literature.

Keywords: One-electron Systems; Hill-Wheeler Equation; One-dimensional Formalism; Energy Profile Method; Arickx Algorithm

About the article

Received: 1996-02-24

Published Online: 2014-06-02

Published in Print: 1996-04-01


Citation Information: Zeitschrift für Naturforschung A, Volume 51, Issue 4, Pages 257–266, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-1996-0405.

Export Citation

© 1946 – 2014: Verlag der Zeitschrift für Naturforschung. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

Comments (0)

Please log in or register to comment.
Log in