204 resultados para B3LYP level


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High-spin level structures of 94,95Mo have been reinvestigated via the 16O(82Se, xnγ)94,95Mo(x = 4, 3) reactions at E(82Se) = 460 MeV. The previously reported level schemes of these two nuclei have been largely modified up to ∼11 MeV in excitation energy due to identifications of some important linking transitions. Shellmodel calculations have been made in the model space of π(p1/2, g9/2, d5/2)4 and ν(d5/2, s1/2, d3/2, g7/2, h11/2)2(3) and compared with the modified level schemes. The structures of the newly assigned high-spin states in 94,95Mo have been discussed.

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Hyperfine quenching rates of the 3s3p P-3(0) level in Mg-like ions were calculated using the GRASP2K package based on the multi-configuration Dirac-Hartree-Fock method. Valence and core-valence correlation effects were accounted for in a systematic way. Breit interactions and QED effects were included in the subsequent relativistic CI calculations. Calculated rates were compared with other theoretical values and with experiment, and a good agreement with the latest experimental value for the Al-27(+) ion (Rosenband et al 2007 Phys. Rev. Lett. 98 220801) was found. Furthermore, we showed in detail the contributions from Breit interaction and QED effects to concerned physical properties. Finally, electronic data were presented in terms of a general scaling law in Z that, given isotopic nuclear spin and magnetic moment, allows hyperfine-induced decay rates to be estimated for any isotope along the isoelectronic sequence.