Open AccessTHEORETICAL STUDY ON ELECTRONIC STRUCTURE OF C60 MOLECULE
Author(s) -
Lei Liu,
Tong Xiao-Min,
Jiaming Li
Publication year - 1996
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.45.760
Subject(s) - rydberg formula , quantum defect , series (stratigraphy) , electronic structure , molecule , molecular orbital , atomic physics , field (mathematics) , molecular physics , physics , materials science , quantum mechanics , ion , paleontology , mathematics , pure mathematics , biology , ionization
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+".