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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.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 Electronic Thesis or Dissertation en
dc.degree.name Master of Science - MSc en
dc.degree.discipline Physics en
dc.degree.grantor University of British Columbia en
dc.degree.campus UBCV en
dc.description.scholarlevel Graduate en


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