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Molecular vibrations and rotations

 

In this chapter we discuss properties related the vibrational and rotational motions of a molecule. This includes vibrational frequencies and the associated infrared (IR)  and Raman intensities .

DALTON is the only quantum chemical software package that can calculate Raman intensities at the frequency of the incident laser light. Thus, DALTON gives an unique opportunity to study the effect of the dispersion on the Raman intensity.





Kenneth Ruud
Sat Apr 5 10:26:29 MET DST 1997