Dalton forum

This is very much a Dalton newbie's question, which I fully expect has a straightforward answer. However , I've looked and looked ... but figure I'm missing the obvious.

How do I characterise the excited states returned during **RESPONSE | *QUADRATIC calculations?

By that I mean I want to try to identify/classify them as e.g. 3s Rydberg, pi* Valence etc etc.
I'm not using symmetry (so there is no symmetry classification), so the only distinguishing feature (apart from the requested property moments etc) that I can see output is the excitation energy.

In Gaussian, TDDFT output will show the principal orbital excitations, population analysis can be done for the excited state densities, and <R**2> values can be examined, but I can't see how this kind of characterisation can be achieved in Dalton.

GAMESS can do this, where the criterion is based on an published article.

GAMESS can distinguish Rydberg from charge transfer/ valence, where the criterion is based on an published article.

You can increase print level by adding, e.g.: under the relevant section in the Dalton input file. I'm not sure what it will give in the *QUADRATIC section, but for excitation energies through the response module, i.e. **RESPONSE & *LINEAR, this will give you orbital contributions and some overlap diagnostics.