里德堡态氧原子能级和量子亏损的理论计算
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O562.1

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国家自然科学基金资助项目(11804112);安徽省高校自然科学研究基金资助重点项目(2024AH051759);安徽省教育教学研究基金资助重点项目(2023jyxm0701);黄山学院教学创新团队基金资助项目(2022JXTD01)


Theoretical Calculation of Energy Levels and Quantum Defects in Rydberg State Oxygen Atoms
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    摘要:

    精确的里德堡态原子能级数据对理解原子结构性质、解释光谱数据等有着重要的应用价值。基于最弱受约束电子势模型,给出了氧原子[Be]2p3(4So)ns 5S2o、[Be]2p3(4So)ns 3S1o和[Be]2p3(4So)nd 3D1o (n=3~50)3个奇宇称里德堡系列的能级和量子亏损。具体地,根据Martin公式确定每个里德堡系列的光谱系数,由此计算里德堡能级的量子亏损和能量值,进一步探究了量子亏损与主量子数n的关系。结果表明:计算结果与已有的实验数据吻合度较高,相差均不大于10 cm-1;主量子数越大,s轨道电子渗透程度越小,而d轨道电子渗透程度越大;WBEPM方法可以高精度地计算高n里德堡原子体系的能级,且不受电子数的限制。

    Abstract:

    Due to the fact that accurate Rydberg state atomic energy level data have an important application value for understanding atomic structural properties and interpreting spectral data, based on the weakest constrained electron potential model, the energy levels and quantum defects have been calculated of three odd parity Rydberg series for the 1s22s22p3(4So)ns 5S2o (n=3~50), 1s22s22p3(4So)ns 3S1o (n=3~50) and 1s22s22p3(4So)nd 3D1o (n=3~50). Specifically, the spectral coefficients of each Rydberg series are determined according to Martin, s formula, with the quantum deficit and energy values of the Rydberg energy levels calculated accordingly, followed by a further inquiry into the relationship between quantum deficit and the principal quantum number n. The calculated results exhibit a high degree of consistency with the existing experimental data, with deviations no greater than 10 cm-1. As the principal quantum number (n) increases, the penetration degree of s-orbital electrons decreases, while that of d-orbital electrons increases. The WBEPM method helps to accurately calculate the energy levels of high-n Rydberg atomic systems without being limited by the number of electrons.

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马 堃.里德堡态氧原子能级和量子亏损的理论计算[J].湖南工业大学学报,2026,40(2):103-108.

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  • 在线发布日期: 2026-01-05
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