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首页> 外文期刊>International Journal of Quantum Chemistry >Critical Nuclear Charges for N-Electron Atoms
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Critical Nuclear Charges for N-Electron Atoms

机译:N电子原子的临界核电荷

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摘要

One-particle model with a spherically-symmetric screened Coulomb potential is proposed to describe the motion of a loosely bound electron in a multielectron atom when the nuclear charge, which is treated as a continuous parameter, approaches its critical value. The critical nuclear charge, Z_c, is the minimum charge necessary to bind N electrons. Parameters of the model are chosen to meet known binding energies of the neutral atom and the isoelectronic negative ion. This model correctly describes the asymptotic behavior of the binding energy in the vicinity of the critical charge, gives accurate estimation of the critical charges in comparison with ab initio calculations for small atoms, and is in full agreement with the prediction of the statistical theory of large atoms. Our results rule out the stability of doubly charged atomic negative ions in the gas phase. Moreover, the critical charge obeys the proposed inequality, N - 2 <= Z_c <= N - 1. We show that in the presence of a strong magnetic field many atomic dianions become stable.
机译:提出了一种具有球形对称屏蔽库仑电势的单粒子模型,用于描述当核电荷(作为连续参数)接近其临界值时,松散结合的电子在多电子原子中的运动。临界核电荷Z_c是结合N个电子所需的最小电荷。选择模型的参数以满足中性原子和等电子负离子的已知结合能。该模型正确描述了临界电荷附近的结合能的渐近行为,与小原子的从头算计算相比,可以准确估算临界电荷,并且与大型统计理论的预测完全一致原子。我们的结果排除了气相中双电荷原子负离子的稳定性。此外,临界电荷服从建议的不等式N-2 <= Z_c <= N-1。我们证明,在强磁场存在下,许多原子二价阴离子变得稳定。

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