Chapter 14: One- and Two-Photon Electronic Spectroscopy
Resonance Raman intersites calculated via the Fourier transform of wavepacket cross-correlation functions.
The resonance Raman intensity
is calculated as the absolute value squared of
the Half-Fourier transform of the cross-correlation function, 
at frequency 
where the polarizability α a is given by:
Here, 
is the incident light frequency, 
is the scattered light frequency, and k
is a constant. The program calculates the cross-correlation functions and resonance Raman spectrum for transitions 0 → n, where the ground and excited state potentials are harmonic oscillators and 0 and n are the ground state vibrational quantum numbers.
The resonance Raman intensity
is calculated as the absolute value squared of
the Half-Fourier transform of the cross-correlation function,
at frequency
where the polarizability α a is given by: Here,
is the incident light frequency,
is the scattered light frequency, and k
is a constant. The program calculates the cross-correlation functions and resonance Raman spectrum for transitions 0 → n, where the ground and excited state potentials are harmonic oscillators and 0 and n are the ground state vibrational quantum numbers.
