Visualization Programs For Ab Initio Calculations

  • H. Hayd
  • H. Spohn
  • H. Preuß
Conference paper


A software package for the graphical postprocessing of ab initio calculations will be presented. Some of the main features are: interactive use, contour plots, wireframes, solid surfaces, topological analysis.


Contour Plot Topological Analysis Bond Critical Point Wire Frame Molecular Electron Density 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer-Verlag Berlin Heidelberg 1991

Authors and Affiliations

  • H. Hayd
    • 1
  • H. Spohn
    • 1
  • H. Preuß
    • 1
  1. 1.Institut für Theoretische ChemieUniversität StuttgartStuttgart 80Germany

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