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Emission Spectra

Simulating emission spectra requires some special considerations:
  1. The Initial flag must be set for the upper manifold of each state, and clear for the lower manifold of each state. (The Initial flag would typically be set for the lower manifold only.) PGOPHER will then use a Boltzmann distribution to calculate the population in the upper state, and assume no population in the lower state.
  2. To include the ν3 factor in the intensity calculations the band origins used must be absolute (i.e. enter 19135 cm-1 rather than 135 cm-1) and the IntensityUnits in the Simulation object should be set to HzperMolecule.