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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 5f(5) atomiclike configuration with L = 5, S = 5/2, and J = 5/2 and shows a nearly complete compensation between spin and orbital magnetic moments.

physical review letters

Ground State Theory of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>δ</mml:mi><mml:mi>−</mml:mi><mml:mi>Pu</mml:mi></mml:math>

Ground State Theory ofδ−Pu