Electronic structure and ionicity of actinide dioxides
نویسندگان
چکیده
منابع مشابه
Key Role of Hybridization between Actinide 5f and Oxygen 2p Orbitals for Electronic Structure of Actinide Dioxides
In order to promote our understanding on electronic structure of actinide dioxides, we construct a tight-binding model composed of actinide 5f and oxygen 2p electrons, which is called f-p model. After the diagonalization of the f-p model, we compare the eigen-energies in the first Brillouin zone with the results of relativistic band-structure calculations. Here we emphasize a key role of f-p hy...
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The results of a computational study with multiconfigurational quantum chemical methods on actinide monoxides (AnO) and dioxides (AnO(2)) for An = Th, Pa, U, Np, Pu, Am, and Cm, are presented. First and second ionization energies were determined and compared with experimental values, when available. The trend along the series is analyzed in terms of the electronic configurations of the various ...
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ژورنال
عنوان ژورنال: Le Journal de Physique Colloques
سال: 1979
ISSN: 0449-1947
DOI: 10.1051/jphyscol:1979458