dc.creator Lindley, D. D. en_US dc.creator Hsu, H. L. en_US dc.creator Pitzer, Russell M. en_US dc.creator Shavitt, Isaiah en_US dc.date.accessioned 2006-06-15T13:52:03Z dc.date.available 2006-06-15T13:52:03Z dc.date.issued 1976 en_US dc.identifier 1976-WC-10 en_US dc.identifier.uri http://hdl.handle.net/1811/9933 dc.description Author Institution: Department of Chemistry, The Ohio State University en_US dc.description.abstract Ab 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.extent 90332 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title AB INITIO SCF STUDIES ON THE GROUND AND EXCITED STATES OF $SO_{2}$ en_US dc.type article en_US
﻿