The
data file simulates the origin band of the C'-X 2 + 1 multiphoton
transition in NH
3. See the paper for the constants
used; note the ground state constants are not the best available
but are adequate for the Doppler limited resolution. There are two
points that are slightly non-standard:
- The point group used is D3h, rather than C3v.
This is necessary to account for the inversion doubling in the
ground state.
- There are two spherical
tensor
transition moments contributing to the transition, a
zero rank component, <v=0|T(0,0)|v=0> and a second rank
component <v=0|T(2,0)|v=0>
The picture below shows a simulation at 300K.