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dc.creatorLindley, D. D.en_US
dc.creatorHsu, H. L.en_US
dc.creatorPitzer, Russell M.en_US
dc.creatorShavitt, Isaiahen_US
dc.date.accessioned2006-06-15T13:52:03Z
dc.date.available2006-06-15T13:52:03Z
dc.date.issued1976en_US
dc.identifier1976-WC-10en_US
dc.identifier.urihttp://hdl.handle.net/1811/9933
dc.descriptionAuthor Institution: Department of Chemistry, The Ohio State Universityen_US
dc.description.abstractAb initio SCF calculations have been performed on the ground and some excited states of $SO_{2}$. The effect of various basis sets on the ground state configuration have been examined and a basis set of 11s, 7p, 2d contracted to 7s, 5p, 2d on the sulfur, 7s, 5p, 1d contracted to 5s, 3p, 1d on the oxygen atoms has been employed to map the potential surface in a qualitative way for the ground state, ($^{1}A_{1}$), and certain interesting low-lying excited states ($^{3}A_{2}, ^{3}B_{1},^{3}B_{2}, ^{1}A_{2}, ^{1}B_{1}, ^{1}B_{2}$). Geometry optimizations are reported for these states along with selected properties. An attempt will be made to relate these calculations to the complex spectra of $SO_{2}$.en_US
dc.format.extent90332 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleAB INITIO SCF STUDIES ON THE GROUND AND EXCITED STATES OF $SO_{2}$en_US
dc.typearticleen_US


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