Dear Erik and ADF List,

looking through the ADF list archives, I found a message from a few
years back ("http://www.scm.com/adflist/0410.html") where you discussed
the meaning of an "unrestricted ADF spin-orbit" calculation. I don't
fully understand it but, more importantly, we have the following
problem.

For some uranium complexes, we would like to estimate what spin-orbit
does to (the equivalent of) the singlet-triplet splitting, and we are
not sure how to do it. So the question really is, how do we do this,
can we do it at all, or if not, is there a back-of-the-envelope way of
estimating this contribution?

Thank you!

Georg

-- 
Dr. H. Georg Schreckenbach
Department of Chemistry, University of Manitoba
Winnipeg, MB, R3T 2N2, Canada
phone: (+204) 474-6261
FAX: (+204) 474-7608
http://home.cc.umanitoba.ca/~schrecke/