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首页> 外文期刊>International Journal of Quantum Chemistry >Approximate Atomic Calculations and Stability of Negative Ions with a Modified Thomas-Fermi-Dirac Model
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Approximate Atomic Calculations and Stability of Negative Ions with a Modified Thomas-Fermi-Dirac Model

机译:修正的Thomas-Fermi-Dirac模型的近似原子计算和负离子的稳定性

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摘要

By means of an improved modified Thomas-Fermi-Dirac approach we obtain fair shell-averaged total energies of atoms and ions.In particular,stable single-charged negative ions can be described with this method.In addition,the possibility of developing hybrid schemes with this method coupled to quantum mechanical calculations for the evaluation of quantities such as ionization potentials is also investigated.
机译:通过改进的改进的Thomas-Fermi-Dirac方法,我们获得了原子和离子的平均壳平均能量,特别是可以用这种方法描述稳定的单电荷负离子。此外,还可能开发混合方案还研究了该方法与量子力学计算相结合以评估诸如电离势之类的量。

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