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The Electronic Spectrum of the UO2 Molecule

Heaven, Michael C.
Krogh, Jesper Wisborg
Roos, Björn O.
Published in Journal of the American Chemical Society. 2005, vol. 127, no. 1, p. 86-91
Abstract The electronic spectrum of the UO2 molecule has been determined using multiconfigurational wave functions together with the inclusion spin−orbit coupling. The molecule has been found to have a (5fphi)(7s), 3Φ2u, ground state. The lowest state of gerade symmetry, 3H4g, corresponding to the electronic configuration (5f)2 was found 3330 cm-1 above the ground state. The computed energy levels and oscillator strengths were used for the assignment of the experimental spectrum in the energy range 17 000−19 000 and 27 000−32 000 cm-1.
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Research group Groupe Gagliardi
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GAGLIARDI, Laura et al. The Electronic Spectrum of the UO2 Molecule. In: Journal of the American Chemical Society, 2005, vol. 127, n° 1, p. 86-91. https://archive-ouverte.unige.ch/unige:3312

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Deposited on : 2009-09-21

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