J4 ›› 2013, Vol. 30 ›› Issue (6): 673-677.

• 量子物理 • 上一篇    下一篇

氦原子高激发态的精确计算

牟健宇,乔豪学   

  1. 武汉大学物理科学与技术学院物理系,湖北 武汉 430072
  • 收稿日期:2013-03-21 修回日期:2013-05-15 出版日期:2013-11-28 发布日期:2013-11-13
  • 作者简介:牟健宇 ( 1988 - ), 研究生,主要研究方向为理论物理。
  • 基金资助:

    国家自然科学基金(11274246)资助项目

Accurate calculation of highly excited states of helium

MU Jian-yu,QIAO Hao-xue   

  1. Department of Physics,~School of Physics and Technology,Wuhan University, Wuhan 430072, China
  • Received:2013-03-21 Revised:2013-05-15 Published:2013-11-28 Online:2013-11-13

摘要:

以Rayleigh-Ritz变分法以及组态相互作用为理论基础,选取Hylleraas基为基元,计算了氦原子高激发态能级结构,精度达到10-4以上。在低激发态时,计算结果与Drake的计算结果比较接近,在高$L$高激发态时,符合理论预期。此外,选取$L=10$激发态为样本,分析了氦原子在第十个激发态时能量收敛情况。通过分析,随着基组的扩大,能量收敛于一个固定数值,从而证明了计算结果的可靠性。最后,选取$L=10$激发态为样本,分析了氦原子处于高激发态时分波对应的关联度和能量贡献度。经过计算, (0, L) L组态贡献度最大,而其他分波的贡献则很小。因此,组态相互作用法可应用于氦原子的高激发态计算。

关键词: 光谱学; 氦原子; 高激发态; 变分法

Abstract:

Based on Rayleigh-Ritz variational and configuration interaction methods as well as Hylleraas coordinates, energies for the highly excited states of helium were calculated, and accuracy of the results reaches 10-4. Specifically, when $L$ is small, the results are close to Drake's results, and when L becomes larger, the results are matched with the theoretical expectation. Besides, if choosing L=10 as an example, the energy converges when Hylleraas coordinates increase, therefore, the results are reliable. Finally, $L=10$ was chosen as an example to observe the correlation and energy contribution of partial waves. As a result, the largest contribution belongs to the (0, L) L partial wave but the contribution of other partial waves is very small. In conclusion, configuration interaction methods can be applied to calculate the highly excited states of  helium.

Key words: spectroscopy, helium, highly excited states, variational
method

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