THEORETICALCALCULATIONS ON THE EXCITED STATES OF $ NO_{2}$ AND $O_{3} $

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1973

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Ohio State University

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Results from ab initio calculations on the low-lying excited states of $NO_{2}$ and $O_{3} $are presented. We find eight excited electronic states for $NO_{2}$ with calculated vertical excitation energies less than 7 eV while for $O^{3}$ there are nine excited states below 6 eV. For each molecule there exists one excited state $(^{2}B_{1}$ for $NO_{2}$ and $^{1}A_{1}$ for $O_{3})$ with the geometry of a three-membered ring.

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Author Institution: Battelle Memorial Institute; California Institute of Technology

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