A New Computer Program for Generating Three-Dimensional Plots of Electronic Densities and Related Contour Levels

Authors

  • Nadia Thalmann Department of Chemistry, University of Geneva.
  • Jacques Weber Department of Chemistry, University of Geneva.

DOI:

https://doi.org/10.2533/chimia.1977.361

Abstract

A new three-dimensional plotting program written in FORTRAN is described, which allows an easy visualization of computed electronic densities as well as the corresponding contour levels. Particular emphasis has been placed on (i) the development of new graphical algorithms which allow a smooth plot even for sharp function peaks and (ii) the simplicity of program operation which makes it very easy to use. As an example, the it molecular orbital of ethylene is represented.

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Published

1977-09-30

Issue

Vol. 31 No. 9 (1977): Forschung/Research

Section

Kurze Mitteilungen

License

Copyright (c) 1977 Nadia Thalmann

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

How to Cite

[1]
N. Thalmann, J. Weber, Chimia 1977, 31, 361, DOI: 10.2533/chimia.1977.361.