An ab initio study of PuO2±0.25, UO2±0.25, and U0.5Pu0.5O2±0.25 L. Ma and A. K. Ray Eur. Phys. J. B, 81 1 (2011) 103-113 Published online: 04 May 2011 DOI: 10.1140/epjb/e2011-10759-0