| He-LiH体系束缚态能级的理论计算 |
| |
| 引用本文： | 黄武英,凤尔银,董书宝,崔执凤.He-LiH体系束缚态能级的理论计算[J].原子与分子物理学报,2005,22(2):352-356. |
| |
| 作者姓名： | 黄武英 凤尔银 董书宝 崔执凤 |
| |
| 作者单位： | 1. 安徽师范大学物理系,芜湖,241000
2. 安徽师范大学物理系,芜湖,241000;中国科学院安徽光学精密机械研究所,合肥,230031 |
| |
| 基金项目： | 安徽省原子与分子物理重点学科建设经费和安徽省高校自然科学基金(2003kj169)资助的课题 |
| |
| 摘 要： | 在CCSD(T) 势能面的基础上,采用严格的量子力学方法计算得到了He-LiH体系束缚态振转能级和波函数,结果表明该体系存在10个振转束缚态.从波函数的分布图中可以知道,与J=0的第一个能级对应的本征态是靠近Li端较深势阱的一个束缚态;第二个能级为伸展激发振动能级;基本上存在于深势阱内,但H端的浅势阱通过隧道效应,对该能级的几率分布产生了影响.
|
| 关 键 词： | He-LiH体系 振转束缚态 势能面 |
| 文章编号： | 1000-0364(2005)02-0352-05 |
Theoretical calculations for bound state of He-LiH complex |
| |
| HUANG Wu-ying,FENG Er-yin,DONG Shu-bao,CUI Zhi-feng.Theoretical calculations for bound state of He-LiH complex[J].Journal of Atomic and Molecular Physics,2005,22(2):352-356. |
| |
| Authors: | HUANG Wu-ying FENG Er-yin DONG Shu-bao CUI Zhi-feng |
| |
| Institution: | HUANG Wu-ying~1,FENG Er-yin~ |
| |
| Abstract: | The rovibrational energy levels and wave functions of He-LiH system were calculated using discrete position representation method based on the CCSD(T) potential energy surface. As a result, there are ten rovibrational bound states. Viewing from the distribution of the wave function, the first vibration level essentially locates at the deeper potential well at the end of Li, and the second one is an excited stretching mode, which can also be assigned to the deeper potential well, however, the shallower well has its role on the probability distributions by tunneling effect. |
| |
| Keywords: | He-LiH complex Rovibrational bound state Potential energy surface |
| 本文献已被 CNKI 维普 万方数据 等数据库收录！ |
| 点击此处可从《原子与分子物理学报》浏览原始摘要信息 |
| 点击此处可从《原子与分子物理学报》下载免费的PDF全文 |
