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Low lying excited states of the bound exciton in a spherical model

✍ Scribed by Yia-Chung Chang; T.C. McGill

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
346 KB
Volume
32
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES

A theoretical study of the low-lying exc
A theoretical study of the low-lying excited states of ozone
✍ Piotr Borowski; Markus FΓΌlscher; Per-Γ…ke Malmqvist; BjΓΆrn O. Roos πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 689 KB

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