A simple atomic model for hydrogen confined inside a prolate-shaped C-60 fullerene cage

摘要

We present a new theoretical method for the calculation of the electronic structure of the hydrogen atom confined inside a prolate-shaped C-60 fullerene cage. The method is based on solving the one-electron Schrodinger equation written in the prolate-spheroidal-coordinate system and using the quasi-atom concept for modelling the effects of the deformed endohedral environment. The energy levels of H@C-60 are qualitatively studied as a function of the deformation parameter delta. Avoided crossing points between levels of the same symmetry are revealed. [References: 21]