dc.creator Matsika, Spiridoula en_US dc.creator Pitzer, Russell M. en_US dc.date.accessioned 2006-06-15T15:41:58Z dc.date.available 2006-06-15T15:41:58Z dc.date.issued 1997 en_US dc.identifier 1997-RB-02 en_US dc.identifier.uri http://hdl.handle.net/1811/13906 dc.description Author Institution: Department of Chemical Physics, The Ohio State University en_US dc.description.abstract Potential curves for the four lowest lying states of the $MgRG^{+}$ type complexes (where RG: Ar, Xe) were generated using relativistic spin-orbit configuration interaction calculations based on effective core potentials. The weak interaction forces between $Mg^{+}$ and RG atoms, ion-induced dipole forces, dispersion forces, etc. require a more extensive correlation energy description than we could use, so this work gives law dissociation energies and high internuclear distances compared to experimental values. But the most important aspect of this theoretical study is that we are able to give an explanation for the unexpectedly large spin-orbit splitting between the ${^{2}} \Pi_{1/2}-{^{2}} \Pi_{1/2}$ excited states of these systems. en_US dc.format.extent 79736 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title AB INITIO STUDY OF $MgAr^{+}$ AND $MgXe^{+}$ en_US dc.type article en_US
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