Molcas Forum

carra

Member

Registered: 2022-03-11

Posts: 1

dipole oscillator strength calculation

Hello to everybody

I think I know that the dipole oscillator strength can be calculated by the RASSI module between wave functions of RAS type, but not of GAS type. I wonder if anyone has worked, or is presently working, on an update of the code to allow the calculation also in the second case.

Thanks

Vincenzo