[molpro-user] Electron spin density at the nucleus
jklos at umd.edu
Thu Jun 26 14:26:07 BST 2008
Dear Molpro Users,
Does anybody have an idea how to obtain electron spin density from
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,
Jacek Klos, Ph. D.
Department of Chemistry and Biochemistry
University of Maryland
College Park, MD 20742 USA
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Molpro-user