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A theoretical study on the excited states of MC3(M

✍ Scribed by Y. Yuan; K. Deng; Y. Liu; C. Tang; G. Lu; J. Yang; X. Wang

Book ID
111628108
Publisher
Springer
Year
2006
Tongue
English
Weight
173 KB
Volume
40
Category
Article
ISSN
1434-6060

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A theoretical study has been performed on the five lowest excited states of the ozone molecule using multiconfigurational second-order perturbation theory (CASPT2). The predicted order of states is: 3A 2 (T O = 1.15 eV), 3B 2 (T O = 1.33 eV), 3B 1 (T O ---1.33 eV), 1A 2 (T O = 1.44 eV) and 1B 1 (T O