RESONANCE RAMAN INTENSITY ANALYSIS OF POLYATOMIC-MOLECULES

A time-dependent quantum mechanical (TDQM) method of wavepacket propag ation in computing resonance Raman intensities for polyatomic systems, has been developed and demonstrated by applying it to cis-stilbene an d trans-azobenzene. In the case of the former, Raman excitation profil es (REPs) for the various vibrational modes have also been computed. I t is observed that the calculated absorption spectrum and the REPs com pare very well with the experimental results. A comparison of these re sults with those of the often used semiclassical approach reveals that the TDQM method can be used to study polyatomic systems with as much ease as the semiclassical wavepacket method.