Comment on "about the calculation of exchange coupling constants using density-functional theory: the role of the self-interaction error" [J. Chem. Phys. 123, 164110 (2005)].
作者信息
Adamo C, Barone V, Bencini A, Broer R, Filatov M, Harrison N M, Illas F, Malrieu J P, Moreira I de P R