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 NO2 and $O_{3} $are presented. We find eight excited electronic states for NO2 with calculated vertical excitation energies less than 7 eV while for O3 there are nine excited states below 6 eV. For each molecule there exists one excited state (2B1 for NO2 and 1A1 for O3) 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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