Molecule Types Symmetric Tops Transition Moments <Prev Next>

Cartesian Transition Moment for Symmetric Tops

While this form of transition moment is more appropriate for asymmetric tops, as it allows transition moments to be set along the a, b, or c inertial axes, it can also be used for symmetric tops.


Rank Rank of transition - 1 for a normal electric dipole transition.
Axis Axis of transition moment - a, b or c. The two axes perpendicular to the symmetry axis will be equivalent.


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.