Abstract
Correlation effects are important for making predictions in the 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 of the order 4 eV. For this the calculation predicts a atomiclike configuration with , , and and shows a nearly complete compensation between spin and orbital magnetic moments.
- Received 23 August 1999
DOI:https://doi.org/10.1103/PhysRevLett.84.3670
©2000 American Physical Society