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Ground State Theory of delta-Pu

S. Savrasov·MPI Stuttgart·G. Kotliar·Rutgers New Jersey
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Abstract

Correlation effects are important for making predictions in the delta 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 atomic-like configuration with L=5, S=5/2, and J=5/2 and shows a nearly complete compensation between spin and orbital magnetic moments.

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S. Savrasov, MPI Stuttgart, G. Kotliar, Rutgers New Jersey. 1999-08-27. Ground State Theory of delta-Pu. https://doi.org/10.1103/physrevlett.84.3670

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