| d、f电子过渡族原子的理论计算 |
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| 引用本文： | 李继弘,张耀文,彭昌宁.d、f电子过渡族原子的理论计算[J].井冈山大学学报（自然科学版）,2014(3):22-26. |
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| 作者姓名： | 李继弘 张耀文 彭昌宁 |
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| 作者单位： | 陇东学院电气工程学院,甘肃庆阳745000 |
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| 基金项目： | 庆阳市自然科学基金项目（ZJ201306）;陇东学院科研基金项目（XYZK0803）. |
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| 摘 要： | 利用电子关联效应和相对论效应的Hartree-Fock(HFR)自洽场方法(SCF),计算了核电荷数Z=1-122中性原子的nd(3≤n≤6)、nf(4≤n≤8)电子的轨道平均半径、束缚能、有效量子数和径向波函数。计算结果表明,随着原子序数Z的增加,中性原子的激发态d、f电子的轨道半径、束缚能、有效量子数在过渡族开始的原子发生了突然的减少,d、f电子波函数也发生了塌缩。
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| 关 键 词： | 轨道半径 束缚能 波函数 HFR方法 |
THEORETICAL CALCULATIONS OF ATOMS OF THE D- AND F-ELECTRON TRANSITION SERIES |
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| LI Ji-hong,ZHANG Yao-wen,PENG Chang-ning.THEORETICAL CALCULATIONS OF ATOMS OF THE D- AND F-ELECTRON TRANSITION SERIES[J].Journal of Jinggangshan University(Natural Sciences Edition),2014(3):22-26. |
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| Authors: | LI Ji-hong ZHANG Yao-wen PENG Chang-ning |
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| Institution: | (Electrical Engineering College ,Longdong University, Qingying,745000,Gansu) |
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| Abstract: | Self-consistent-field calculations of the orbital radius, binding energy, effective quantum numbers and the radial wave function of nd（3≤n≤6） and nf（4≤n≤8） electrons for the neutral atomic configurations from Z=1-122 have been calculated based on the Hartree-Fock（HFR） methods including correlation and relativistic effects. The results show that the orbital radius and binding energy and effective quantum numbers of the d- and f-electron of the excited state of the neutral atomic sharply decrease with Z, which precede the beginnings of the various d- and f-electron transition series. And the d- and f-electron wave functions have collapsed. |
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| Keywords: | orbit radius binding energy wave function HFR method |
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