On the Calculation of Resonance Raman Spectra

A general formalism for resonance Raman scattering is presented which treats both linear and quadratic electron–photon interactions. The time correlation functions which are involved in resonance Raman scattering both from a single vibronic state and from the initially distributed vibronic states are calculated. The expressions are exact for a displaced–distorted oscillator system at all temperatures. The effects of distortions of potential energy surfaces on absorption, resonance Raman excitation profiles and resonance Raman spectra were also investigated quantitatively. © 1997 by John Wiley & Sons, Ltd.