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Emission Spectra

Simulating emission spectra requires some particular settings, given below. If these are set, PGOPHER will use a Boltzmann distribution to calculate the population in the upper state, and assume no population in the lower state
  1. The Initial flag must be set for the upper manifold of each transition.
  2. The Fluorescence flag should be set to true for the simulation.
  3. The AbsoluteE setting in the molecule(s) should be set to true.
  4. The band origins should be must be absolute so, for example, do not enter 135 cm-1 rather than 19135 cm-1 for an origin.
  5. To include the ν3 factor in the intensity calculations the IntensityUnits in the Simulation object should be set to HzperMolecule, giving integrated line strengths are then photons/s/molecule. Alternatively WperMolecule will scale these by giving units of W/molecule.
For versions before 10.1.146 the Fluorescence and AbsoluteE flags were not present and a different logic was used, which will be used in the current version if either is false: