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Theoretical results for the excited states of ozone

✍ Scribed by P.J. Hay; W.A. Goodard III

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
250 KB
Volume
14
Category
Article
ISSN
0009-2614

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✦ Synopsis

On the basis of ab initio calculations (configuration interaction and generalized valence bond), we find eight excited states of ozone with vertical excitation energies less than 7 eV. Using these results the various experimental transitions are assigned. One state has an equilateral triangle as the minimum energy geometry (1.5 eV above the ground state).

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