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.
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