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Resonance Raman for several excited states
The numerical evaluation of resonance Raman intensities has the advantages that
- Relative Intensities can be computed for several excited states at a time,
since all excitation energies are determined simultaneously.
- Intensities can be computed for a selected no. of modes.
The intensities calculated for two different states cannot directly be
compared, since the excited-state gradients only provide relative intensities
for each excited state in resonance. For RR intensities from different excited
states, also other quantities play a role. The most important one is the
transition dipole moment to the excited state in resonance, which enters the
intensity expression with to the fourth power.
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