Multidimensional Franck Condon Factors
This contains settings controlling the calculation of
Multidimensional Franck Condon Factors. One of these should be set up
to connect each pair of electronic states
between which Franck
Condon factors are to be calculated. The per mode settings are
contained in a Vibrational Mode
Change object for each mode.
Settings
| Symmetry |
Symmetry of electronic transition moment; default is 'auto'
|
| Calculate |
True to calculate normal co-ordinate displacements and
Dushinsky matrix from l matrix
|
Parameters
| Strength |
Relative electronic transition (dipole) moment - note that
the relative intensity is proportional to the square of this value. |
Operations
Right click on the item in the constants
window for the following operations in addition to the standard
ones:
Molecule Types Vibrational Structure