[molpro-user] Electron spin density at the nucleus

[jacek klos]

Dear Molpro Users,

Does anybody have an idea how to obtain electron spin density from  
Molpro?
Particularly, I am interested in the electron spin density at the  
nucleus as a function of a distance between two atoms.
Many thanks in advance for  help,
Best
Jacek

__________________________________
Jacek Klos, Ph. D.
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
http://www.researcherid.com/rid/A-6457-2008
__________________________________





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