TCE transition dipole moments
Just Got Here
2:31:50 PM PDT - Fri, Jun 7th 2019
Hi,

According to the documentation, the dipole keyword should calculate transition dipole moments between the ground and the excited states. However, it appears that it does so only for the first excited state in each irrep. How do I get the transition dipoles for the rest of the states?

Thanks,

Jussi Eloranta
Cal State Northridge


Forum >> NWChem's corner >> NWChem functionality