dc.creator Hay, P. Jeffrey en_US dc.creator Dunning, T. H., Jr. en_US dc.date.accessioned 2006-06-15T13:46:08Z dc.date.available 2006-06-15T13:46:08Z dc.date.issued 1976 en_US dc.identifier 1976-RB-7 en_US dc.identifier.uri http://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.description Author Institution: Los Alamos Scientific Laboratory, University of California en_US dc.description.abstract The 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.extent 86459 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title THE EXCITED STATES OF $O_{3}$ REVISITED en_US dc.type article en_US
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