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首页> 外文期刊>The Journal of Chemical Physics >Bounds to electron-pair relative and center-of-mass radii in many-electron atoms
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Bounds to electron-pair relative and center-of-mass radii in many-electron atoms

机译:绑定到多个电子原子中的电子对相对半径和质心半径

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摘要

When the electron-electron interaction is explicitly considered in many-electron atoms,the average electron radius splits into the inner and outer = <|r_1-r_2|> An analogous result is also derived for the electron-pair center-of-mass radius = <|r_1+r_2|/2>.For the 102 atoms He through Lr in their ground states,the tightness of these bounds is numerically examined at the Hartree-Fock limit level.Good linear correlations are observed between and and
机译:当在多电子原子中明确考虑电子-电子相互作用时,平均电子半径分为内部和外部 = <| r_1-r_2 |>的上限和下限也得出电子对质心半径 = < | r_1 + r_2 | / 2>。对于处于基态的He到Lr的102个原子,在Hartree-Fock极限水平上对这些束缚的紧密度进行了数值检查。在之间观察到良好的线性相关性。

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