GU: Transition dipole calculations

[Neil Anderson <andersna@umich.edu>]

I am having difficulties in obtaining transition dipoles and oscillator 
strengths for transitions between levels of different symmetry but the 
same spin multiplicity (ie 1-Ag->1-Bu). I have no problems doing these calculations for transitions 
between levels of the same symmetry.The problem arises because 
RUNTYP=TRANSITN only reads $DRT1. 
How can I specify that I wish the transition between an A and B state 
while only being able to specify one orbital occupation? I have tried an 
orbital reordering within one of the $VEC groups, but gamess changes the 
orbital symmetries when I do that, and still ends up with the same 
symmetry for the states in question.

Any insight on how to get these to work would be greatly appreciated!!!


Neil Anderson
andersna@umich.edu
Graduate Student Research Assistant
Department of Chemistry
University of Michigan