摘要
以Raylei曲-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。
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.
出处
《量子电子学报》
CAS
CSCD
北大核心
2013年第6期673-677,共5页
Chinese Journal of Quantum Electronics
基金
国家自然科学基金(11274246)资助项目
关键词
光谱学
氦原子
高激发态
变分法
spectroscopy
helium
highly excited states
variational method
