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
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:
- If the Fluorescence
setting is false the Initial
must be false for the lower manifold for each
transition, in addition to being set true (as above) for the
upper manifold. For simple cases (widely separated manifolds)
this is equivalent to the Fluorescence
true setting, but will not simulate fluorescence within a
manifold, and will omit some transitions for overlapping
manifolds.
- If AbsoluteE
is false then a heuristic is used to detect when relative or
offset band origins have been used, such as entering 135
rather than 19135 for an origin. This flag permits negative
transition frequencies, but the heuristic is not infallible,
and can give inappropriate negative transition frequencies.
Procedures Details