THEORETICAL STUDY ON ELECTRONIC STRUCTURE OF C60 MOLECULE
C60分子电子激发态结构的理论研究

Based on multiple-scattering self-consistent-field method, we have investigated the electronic structrue of molecular bonding orbital and molecular Rydberg orbital in a unified manner for a C60 molecule. The results have been compared with other theoretical and experimental data and our calculated transition energies are in a fairly good agreement with experimental observations. Our results can be used to indentify the experimental spectra. Furthermore, our calculated quantum defects for Rydberg series can be used to study the corresponding collision process of "e+ C60+".