Theory of (La,Y) endohedrally doped fullerenes: The past and the present

We present a brief overview of theoretical studies of the structural and electronic properties of endohedrally doped fullerenes. Very recent ab-initio molecular dynamics simulations on La@C-82 and La@C-60 are discussed. Beyond providing information on the dynamics itself, they show the incompleteness of previous calculations of the structure and also the strong limitations of a static picture. Whenever possible, comparison with experiment is made, and future work as well as open issues are outlined.