Ta. Claxton, MU-AT-C-70 - A THEORETICAL-STUDY, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 72(2), 1995, pp. 259-266
Ab initio calculations on endohedral C(70)MU (Mu@C-70) using both Hart
ree-Fock and density functional theory methods show that the most stab
le position for muonium is not at the centre of the fullerene. Althoug
h the average position of muonium is at the centre of the C-70 cage af
ter allowing for zero-point motion, the non-spherically symmetric comp
onents of the motion, particularly along the long axis of the molecule
, provides an explanation for the observed electron-muon anisotropic c
oupling constant.