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An ab initio calculation of the potential energy curves of some excited electronic states of OH

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dc.contributor.author Easson, Ian Whiteman
dc.date.accessioned 2011-05-06T16:59:28Z
dc.date.available 2011-05-06T16:59:28Z
dc.date.copyright 1971
dc.date.issued 2011-05-06T16:59:28Z
dc.identifier.uri http://hdl.handle.net/2429/34322
dc.description.abstract A series of ab initio calculations has been performed in the Born-Oppenheimer approximation for some electronic states of OH. Wavefunctions and energies are calculated variationally. The form chosen for the wave-function is a finite linear superposition of configurations. Molecular orbitals are formed by Schmidt-orthogonalizing the atomic orbitals, each of which is represented by a single Slater-type orbital. The variational parameters are the coefficients in the linear expansion of the wave-function, and the non-linear parameters [character omitted] of the Slater-type orbitals. Wavefunctions and potential energy curves are given for some of the lower-lying ²Σˉ and ²Σˉ and ²Πstates. One result of note is that the lowest ²Σˉ state is bound. This disagrees with an earlier calculation (Harris and Michels, 1969), but it is in accord with a recent interpretation of the spectrum (Pryce, 1971). en
dc.language.iso eng en
dc.publisher University of British Columbia en
dc.relation.ispartof Retrospective Theses and Dissertations, 1919-2007 en
dc.relation.ispartofseries UBC Retrospective Theses Digitization Project [http://www.library.ubc.ca/archives/retro_theses/] en
dc.subject Hydroxyl group en
dc.title An ab initio calculation of the potential energy curves of some excited electronic states of OH en
dc.type Text en
dc.degree.name Master of Science - MSc en
dc.degree.discipline Physics en
dc.degree.grantor University of British Columbia en
dc.type.text Thesis/Dissertation en
dc.description.affiliation Science, Faculty of en
dc.degree.campus UBCV en
dc.description.scholarlevel Graduate en

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