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dc.creatorLee, Y. S.en_US
dc.creatorErmler, W. C.en_US
dc.creatorPitzer, K. S.en_US
dc.creatorWinter, N. W.en_US
dc.descriptionAuthor Institution: Department of Chemistry and Lawrence Berkeley Laboratory, University of California; Lawrence Livermore Laboratory, University of Californiaen_US
dc.description.abstractPotential energy curves for the ground $^{1}\Sigma_{g}^{*}$ state of $Xe_{2}$, the first four states of the positive $Xe_{2}^{+}$ ion, and the eight $Xe_{2}^{*}$ excimer states corresponding to the addition a $6\Sigma_{g}$ Rydberg electron to these ion cores have been computed using averaged relativistic effective core potentials (AREP) and the self-consistent field approximation for the valence electrons. The calculations were carried out using the LS-coupling scheme with the effects of spin-orbit coupling included in the resulting potential energy curves using an empirical procedure. A comparison of non-relativistic and averaged relativistic EP’s and subsequent molecular calculations indicates that relativistic effects arising from the mass-velocity and Darwin terms are not important for these properties of $Xe_{2}$ molecules. Spectroscopic constants for $Xe_{2}^{+}$ are in good agreement with all electron CI calculations suggesting that the computed values for $Xe_{2}^{*}$ excimers should be reliable. The lifetimes for the lower states of $Xe_{2}^{*}$ are computed.en_US
dc.format.extent136349 bytes
dc.publisherOhio State Universityen_US
dc.titlePOTENTIAL ENERGY CURVES FOR $Xe_{2}^{+}$ AND $Xe_{2}^{*}$en_US

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