Molecule Types Asymmetric Tops Transition Moments <Prev Next>

Cartesian Transition Moments for Asymmetric Tops

This form of transition moment is particularly appropriate for asymmetric tops, as it allows transition moments to be set along the a, b, or c inertial axes.


Rank Rank of transition - 1 for a normal electric dipole transition.
Axis Axis of transition moment - a, b or c. To specify a transition moment not aligned along an axis, create two transition moment objects and specify the projection along each axis in the appropriate transition moment. (To duplicate the object right click on the transition moment in the tree view in the Constants Window, select copy and then paste.)


Strength Transition (dipole) moment. For correct absolute intensities this should be given in units of units of Debye. Note that the relative intensity is proportional to the square of this value.