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dc.creatorBlaudeau, Jean-Philippeen_US
dc.creatorBursten, Bruce E.en_US
dc.creatorPitzer, Russell M.en_US
dc.date.accessioned2006-06-15T19:02:32Z
dc.date.available2006-06-15T19:02:32Z
dc.date.issued1998en_US
dc.identifier1998-RB-11en_US
dc.identifier.urihttp://hdl.handle.net/1811/18873
dc.descriptionAuthor Institution: Department of Chemistry, The Ohio State Universityen_US
dc.description.abstractRestricted Hartree-Fock (RHF) and spin-orbit configuration-interaction (SOCI) calculations were performed on the ground and low-lying excited states of the plutonyl ion, $PuO_{2}^{2+}$. These results are compared to density functional theory (DFT) results obtained using generalized gradient corrections. The low energy transitions are $f \to f$. Information on the vibrational modes will also be presented. For the ab initio work, the actinides are modeled with relativistic effective core potentials and Gaussian correlation consistent double-zeta plus polarization basis sets. The DFT work used Slater basis sets.en_US
dc.format.extent77784 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleTHE ELECTRONIC STRUCTURE OF THE PLUTONYLIONen_US
dc.typearticleen_US


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