XA Online Documentation, XA Guided Tour "R-Value"

R-Value

  1. Click on 3S, 4S* and 3P in the Orbitals listbox.
  2. Select menu View and then item Draw Data.

    Result
    Three graphs including the newly created pseudo orbital will be drawn. Please note the slightly darker marker symbols which tell you that there have been made changes to the internal atom data structure.

  3. Select the R-Value input field and enter 10.
  4. Hold down the Alt key and press d on your keyboard.

    Result
    The graphs are being redrawn with the new uppermost x axis value which is now the previously entered R Value. Your XA main window should look like the following example (image will not be displayed when using a text-based web browser):

  5. Now "unselect" the orbitals 3S and 3P in the Orbitals listbox.
  6. Change the R-Value value to 3.0.

  1. Select the menu View and then the item Sum.

    Result
    The R-Value entered into the input field is taken to calculate the y value of an x, i.e. r, value. Therefore it is possible to find any point on the function graph of the selected orbital by giving an R-Value.

  2. Click on OK in the Sum window.



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Reinhard Schaffner, © 1995-05-16