| Pr^3＋离子能级理论结果的参数拟合分析 |
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| 引用本文： | 阮刚,段昌奎.Pr^3＋离子能级理论结果的参数拟合分析[J].重庆邮电学院学报(自然科学版),2005,17(1):81-84. |
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| 作者姓名： | 阮刚 段昌奎 |
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| 作者单位： | 重庆邮电学院信息电子学研究所，重庆邮电学院信息电子学研究所 重庆400065，重庆400065 |
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| 基金项目： | 国家自然科学基金资助项目(10274079)，重庆市科技计划资助项目[200461.30] |
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| 摘 要： | 稀土离子在激光材料和光通讯材料及器件中有着广泛的应用。这些应用对电子结构的计算和作用机制的分析提出了要求。通过对Pr^3 离子的从头计算的理论能级和实验能级进行参数拟合和综合分析发现：可以结合相对论Coupled—Cluster理论和多体微扰理论，对不同参数的计算，主要考虑对此参数有重要贡献的机制，来实现稀土离子电子结构的有效计算。
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| 关 键 词： | 稀土离子 相对论Coupled—Cluster 参数拟合 多体微扰理论 |
Parameterization of calculated Pr~(3+) energy levels and experiment:a brief report |
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| RUAN Gang,DUAN Chang-kui.Parameterization of calculated Pr~(3+) energy levels and experiment:a brief report[J].Journal of Chongqing University of Posts and Telecommunications(Natural Sciences Edition),2005,17(1):81-84. |
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| Authors: | RUAN Gang DUAN Chang-kui |
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| Abstract: | Applications of Rare-Earth ions in laser crystals and optical fibers require the calculation of the electronic structure and interaction mechanisms. The energy levels of Pr~(3+) ions from various relativistic coupled-cluster calculations and from experiment are parameterized and analyzed. It is proposed that relativistic coupled-cluster theory can be combined with many-body perturbation theory to calculate only the important contributions to any particular parameter, so as to realize efficient calculation of electronic structure of Rare-Earth ions. |
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| Keywords: | rare-earth ions relativistic coupled-cluster parameterization many-body perturbation theory |
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