Targeting spectroscopic accuracy for dispersion bound systems from ab initio techniques: translational eigenstates of Ne@C${}_{70}$

K. Panchagnula, D. Graf, E. R. Johnson +1

We investigate the endofullerene system Ne@C${}_{70}$, by constructing a three-dimensional Potential Energy Surface (PES) describing the translational motion of the Ne atom. We compa…