financially supported by the National Natural Science Foundation of China(No.91026016);the National Defense Science and Technology Key Laboratory Foundation(No.9140C660503120C66244);the Foundations for Cultivating Academic Leaders of Sichuan Province(No.SXS201301).
The electronic structure and optical properties of plutonium dioxide were calculated using the generalized gradient approximation with a Hubbard parameter U (GGA + U) for considering the strong coulomb correlation ...