Subject: Orbital angular momentum of molecules

From: <[email-masked]>
Date: Sun, 24 Aug 1997 11:54:46 -0400

CCLers,

  I need help in understanding or calculating orbital angular momentum
of organic molecules (such as benzene or C60) and metal cluster compounds 
(such as Mo6 clusters in some halids).  For the case of atoms, the orbital 
angular momentum is well defined.  And, for the case of transtion metal ions 
in complexes or magnetic insulators, it is can be well dealt with by Ligand 
field theory.  I wonder if there is any rigorous study on how to calulate 
and how to interprete orbital angular momentum of large molecules where 
electrons are fully delocalized.  Or, is there any systematic way of handling 
orbital angular momentum of large moelcules with respect to the degree of 
electron-localization, say, fully-delocalized, strongly-correlated but 
delocalized, or fully-localized?

  Certainly, I will summarize.

Don Seo
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[email-masked]
Dept. of Chemistry
North Carolina State University
Raleigh, NC 27695-8204
USA