| 钡原子6s~2、5d~2、6p~2组合的电子相关效应及其组合相互作用 |
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| 引用本文： | 赵力耕,徐至展,张文琦,王翼飞,潘仲雄.钡原子6s~2、5d~2、6p~2组合的电子相关效应及其组合相互作用[J].光学学报,1987(9). |
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| 作者姓名： | 赵力耕 徐至展 张文琦 王翼飞 潘仲雄 |
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| 作者单位： | 中国科学院上海光学精密机械研究所
(赵力耕，徐至展，张文琦)，上海科技大学应用数学和计算数学研究所
(王翼飞)，上海科技大学应用数学和计算数学研究所(潘仲雄) |
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| 摘 要： | 用模型势方法和斯莱特-高登(Slater-Condon)理论计算了钡原子偶宇称6s~2,5d~2,6p~2电子组合、角动量J=0,1,2的双激发能级的激发能和组合相互作用(configuration interaction)。结果表明,6s~2,5d~2和6p~2组合在~1S_0态中强烈地混合,使常规能级标识符号失去意义。另外,我们的结果也从理论上证明了曾引起争议的6p~(21)S_0能级是位于第一电离势之上的自由离能级。
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| 关 键 词： | 多电子原子 双激发能级 组合相互作用 |
Calculations of configuration interactions and excitation energies for valent states of Ba |
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| ZHAO LIGENG,XU ZHIZHAN,ZHANG WENQI.Calculations of configuration interactions and excitation energies for valent states of Ba[J].Acta Optica Sinica,1987(9). |
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| Authors: | ZHAO LIGENG XU ZHIZHAN ZHANG WENQI |
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| Abstract: | Configuration admixture and excitation energies are computed for the even-parity J=0, 1, 2, valent states of 6s2, 5d2 and 6pa confiqurations of Ba. We employ a model potential method to obtain the one-electron spin-orbitals. The computed excitation energies are generally in good agreement with available experimental data, and the three configurations are found to admix heavily in the 1S0 states. The results also identify theoretically 6p2 1S0 autoionizing state which gave rise to controversy in assignments of the levels of Ba. |
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| Keywords: | multielectron atom double-excited state configuration interaction |
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