The electronic spectrum of the UO2 molecule.
نویسندگان
چکیده
The electronic spectrum of the UO(2) 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), (3)Phi(2u), ground state. The lowest state of gerade symmetry,( 3)H(4g), 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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ورودعنوان ژورنال:
- Journal of the American Chemical Society
دوره 127 1 شماره
صفحات -
تاریخ انتشار 2005