Ground State Theory of d-Pu
نویسندگان
چکیده
Correlation effects are important for making predictions in the d phase of Pu. Using a realistic treatment of the intra-atomic Coulomb correlations we address the long-standing problem of computing ground state properties. The equilibrium volume is obtained in good agreement with experiment when taking into account Hubbard U of the order 4 eV. For this U, the calculation predicts a 5f5 atomiclike configuration with L 5, S 5 2, and J 5 2 and shows a nearly complete compensation between spin and orbital magnetic moments.
منابع مشابه
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