Tutorial 2: Excitation energies of ethene
First you will construct an ethene molecule and optimize its geometry. As this is basically the same procedure as in Tutorial 1, only short instructions will be given.
Next you will set up the calculation of excitation energies, and let ADF perform the calculation.
Finally, using ADFlevels, ADFspectra and ADFview, you will examine the results.
Step 1: Start ADFinputStep 2: Create your ethene molecule
Step 3: Optimize the geometry
Step 4: Calculate the excitation energies
Select calculations options
Run the calculation
Step 5: Results of your calculation
Logfile: ADFtail
Energy levels: ADFlevels
Excitation spectrum: ADFspectra
Transition density: ADFview
ADF Output
Closing the ADF-GUI modules
