| K,Cu,Rb,Ag和Cs原子第一离化势的相对论HFS计算 |
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| 引用本文： | 赵永芳,潘守甫.K,Cu,Rb,Ag和Cs原子第一离化势的相对论HFS计算[J].吉林大学学报(理学版),1987(3). |
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| 作者姓名： | 赵永芳 潘守甫 |
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| 作者单位： | 原子与分子物理研究所
(赵永芳),原子与分子物理研究所(潘守甫) |
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| 摘 要： | 本文在相对论的Hartree-Fock-Slater(RHFS)近似中,考虑了原子中价电子和核实电子之间的极化效应,使用类似于“冻结核实”和“弛豫核实”近似的方法,对K,Cu,Rb,Ag和Cs原子的第一离化势分别进行了计算。计算结果与实验数据比较,偏差较小。
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| 关 键 词： | 极化效应 冻结核实 弛豫核实 第一离化势 |
Relativistic HFS Calculations for the First Ionization Potentials of K, Cu, Rb, Ag and Cs |
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| Zhao Yongfang and Pan Shoufu.Relativistic HFS Calculations for the First Ionization Potentials of K, Cu, Rb, Ag and Cs[J].Journal of Jilin University: Sci Ed,1987(3). |
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| Authors: | Zhao Yongfang and Pan Shoufu |
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| Abstract: | In this paper, relativistic Hartree-Fock-Slater values of the first ionization potentials for K, Cu, Rb, Ag and Cs are computed in an approximations similer to "frozen core" and "relaxed core" with and without allowance for core polarization.The effects are included in the calculation by introducing a polarization potential in the one-electron Hamiltonian of the walence electron. The computed results are compared with the experimental values. It shows that the allowance made for core polarization reduces deviations between RHFS first ionization potentials and experiment first ionization potentials. |
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| Keywords: | polarization effect frozen core relaxed core first ionization potential |
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