Application of the DV-Xa method

Here shows examples of results in the DV-Xa calculations. We can obtain many information about electronic states. Several figures are shown in this page.

• Model Cluster
  

• Energy Level Diagram
  

• Density of State
  

• Contour Map of Electron Density
  

• An Example of Imput Data
  (data.f05.txt)
  

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• Appendex
  Change of the electronic density of HCl molecule in static electric field. If you use ViewMovie plugin, you can see a movie on Netscape.
  
  Electron Density of HCl Molecule
  
  Differential Electron Density of HCl Molecule
  
  

  
  You can download the ViewMovie plugin form ICB QT Internet Software.