您的位置:首页  > 论文页面

氪4p3/2与4p1/2轨道的电子动量谱的理论计算

发表时间:2010-08-15  浏览量:1155  下载量:523
全部作者: 刘昆,宁传刚,邓景康
作者单位: 清华大学理学院,原子分子纳米科学教育部重点实验室
摘 要: 结合spin-orbit相对论量子化学方法,在2种不同大小基组条件下计算了氪原子外价轨道自旋轨道劈裂态4p3/2和4p1/2的电子动量谱,并与最近的实验值进行了比较。结果表明:spin-orbit相对论方法能较好地描述实验值,基组大小对计算结果影响不大。
关 键 词: 原子分子物理;电子动量谱学;相对论量子化学;氪
Title: Theoretical calculation on electron momentum distributions of 4p3/2 and 4p1/2 orbitals of Krypton
Author: LIU Kun, NING Chuangang, DENG Jingkang
Organization: Key Laboratory of Atomic and Molecular Nanosciences, Ministry of Education, School of Sciences, Tsinghua University
Abstract: Combining with spin orbit relativistic quantum chemical method, the momentum distributions of spin�orbit splitting states 4p3/2 and 4p1/2 were calculated using two kinds of basis sets. The theoretical results were compared with recent experimental data. It was found that spin�orbit relativistic method can reproduce experimental results well and the size of basis sets influenced little the theoretical results.
Key words: atomic and molecular physics; electron momentum spectroscopy; relativistic quantum chemistry; Krypton
发表期数: 2010年8月第15期
引用格式: 刘昆,宁传刚,邓景康. 氪4p3/2与4p1/2轨道的电子动量谱的理论计算[J]. 中国科技论文在线精品论文,2010,3(15):1536-1539.
 
0 评论数 0
暂无评论
友情链接