Making a Linear Molecule Data File


Note:
All quantum numbers (spin, J, K...) are input and displayed at double their actual values to allow for half integral values.

A simple linear molecule file can be generated from File, New, Linear Molecule. This initializes the program for a molecule with a band origin of 1000 cm-1and B' = B'' = 1 cm-1. To adjust the constants (and set the type of vibronic transition) PGOPHER uses select View, Constants.

I integral
I half integral
SymWt (I+1)(2I+1) I(I+1)
AsymWt I(I+1) (I+1)(2I+1)