对Thomas-Fermi理论和电子状态方程的宽范围壳层修正
Wide-range shell correction to the Thomas--Fermi theory and equation of state for electrons
摘要：
壳效应反映了由离散能谱引起的物理量的不规则性。由Kirzhnits和Shpatakovskaya提出的壳效应理论仅在相对低的密度下有效，提供了热力学函数的振荡。恩格勒特和施温格考虑了中性原子的电子结合能的类似效应。在这项工作中，我们提出了一种方法计算壳效应适用于广泛的密度和温度范围。该模型是基于有限温度的超导费米理论。壳修正的热力学函数得到的特殊帐户的半经典状态的束缚电子在B-Fermi势。计算结果与低密度等离子体的精确Saha方法和高密度等离子体的密度泛函理论模拟结果相一致。
英文摘要：
Shell effects reflects irregularities of physical quantities caused by a discrete energy spectrum. The theory of the shell effects by Kirzhnits and Shpatakovskaya is valid only at relatively low densities providing for oscillations of thermodynamic functions. Similar effects for the electronic binding energy of a neutral atom were considered by Englert and Schwinger. In this work we propose a method of calculation of shell effects applicable in a wide range of density and temperature. The model is based on the finite-temperature Thomas-Fermi theory. Shell corrections to thermodynamic functions are obtained by special accounting of semiclassical states of bound electrons in the Thomas-Fermi potential. The results are in good correspondence with the precise Saha approach for the low density plasma and density functional theory simulation at high density.
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