环戊烷分子的1e''1轨道电子密度

1.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

2.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

3.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

4.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

5.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

6.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

7.清华大学物理系,量子信息与测量教育部重点实验室,北京,100084

基金项目: 高等学校博士学科点专项科研项目(1999000327) 国家自然科学基金(19774043,19854002)

Valance Electron Density of 1e″1 Orbital in Cyclopentane

从实验和理论上研究了环戊烷分子的1e″1轨道电子动量谱分布. 理论计算采用Hartree-Fock方法和密度泛函理论, 给出了该轨道的位置空间的密度分布图. 对环戊烷分子的电子动量谱研究在国内首次将分子样品的研究由气态扩展到了液态.

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