摘要
The electron momentum distribution of 3σ_u orbital of carbon dioxide has been measured at high momentum resolution. Through comparation between experimental and theoretical results, the calculation by DFT-B3LYP method using 6- 311 + +G basis set is more agreement with the experirnental data than other calculations.
The electron momentum distribution of 3σ_u orbital of carbon dioxide has been measured at high momentum resolution. Through comparation between experimental and theoretical results, the calculation by DFT-B3LYP method using 6- 311 + +G basis set is more agreement with the experirnental data than other calculations.
基金
国家自然科学基金!(19634040
19974040)
教育部高等学校博士学科点专项科研基金资助项目。
关键词
(e
2e)电子动量谱学
二氧化碳分子
3σu轨道
(e, 2e) electron momentum spectroscopy, Non-coplanar symmetric, Triple differential cross section
