A.    Sketch the potential energy surfaces of HF in the ground state and excited state assuming that the dimensionless displacement is D = 3. Label D on the sketch. 

 

 

 

 

 

 

B.     Calculate the “stick spectrum” of the HF HOMO à LUMO transition assuming the T = 0 K approximation and that the vibrational mode is a Franck-Condon active mode.  Make a table shows the individual bands. 

 

 

n’

FC factor        

Plugged-in value        

numerical value

0’        

 

 

 

1’        

 

 

 

2’

 

 

 

3’

 

 

 

4’

 

 

 

5’

 

 

 

6’