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Theoretical evidence for bound electronic excited states of ozone

✍ Scribed by P.Jeffrey Hay; Thom H. Dunning Jr.; William A. Goddard III

Publisher
Elsevier Science
Year
1973
Tongue
English
Weight
592 KB
Volume
23
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

Theoretical results for the excited stat
Theoretical results for the excited states of ozone
✍ P.J. Hay; W.A. Goodard III πŸ“‚ Article πŸ“… 1972 πŸ› Elsevier Science 🌐 English βš– 250 KB

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

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

Evidence for excited electronic state in
Evidence for excited electronic state interference in resonance raman scattering
✍ P. Baierl; W. Kiefer; P.F. Williams; D.L. Rousseau πŸ“‚ Article πŸ“… 1977 πŸ› Elsevier Science 🌐 English βš– 466 KB

Ti:c: complex rcsommcc Raman spcctia of molecular bromine have been .malyrcd quantitatively and a clear dcmonrtration of interfcrencc in the Ranun intensity from the L@IIQ+~) nnd 1 111, excited s:stes has been found.

Importance of Strongly Bound Excited Sta
Importance of Strongly Bound Excited States in the Electronic Spectrum of Be+2
✍ P.J. Bruna; B.Q. Meng; J.S. Wright πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 807 KB

Theoretical radiative data are presented for selected transitions involving the strongly bound \(1^{2} \mathrm{II}_{u}\) and \(1^{4} \Sigma_{k}^{-}\)states of \(\mathrm{Be}_{z}^{+}\). The wavefunctions stem from a Multi-Reference Configuration Interaction (MRD-CI) treatment correlating three valence