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dc.creatorHay, P. Jeffreyen_US
dc.creatorDunning, T. H., Jr.en_US
dc.date.accessioned2006-06-15T13:46:08Z
dc.date.available2006-06-15T13:46:08Z
dc.date.issued1976en_US
dc.identifier1976-RB-7en_US
dc.identifier.urihttp://hdl.handle.net/1811/9678
dc.description$^{1}$ J.L. Bancroft, J.M. Hollas, and D.A. Ramsay, Can. J. Phys. 40, 322, (1962).en_US
dc.descriptionAuthor Institution: Los Alamos Scientific Laboratory, University of Californiaen_US
dc.description.abstractThe geometries of the lowest 9 electronic states of $O_{3}$ have been determined from ab initio configuration interaction $(CI)$ calculations of their potential energy surfaces in $C_{2v}$ symmetry. The predicted geometry of the ground $^{l}A_{1}$ state $(R = 1.299$ {\AA}, $\theta - 116.0^\circ)$ in the [3s2pld] contracted Gaussian basis is in much bettor agreement with experiment $(R = 1.278$ {\AA}, $\theta = 116.8^\circ)$ than previous $results^{1}$ which did not include 3d polarization functions. The existence of bound excited states will be examined in light of the theoretical excitation energies and recent experimental findings.en_US
dc.format.extent86459 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleTHE EXCITED STATES OF $O_{3}$ REVISITEDen_US
dc.typearticleen_US


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