原子中统计指标的另一种评价:非相对论和相对论情况
Alternative evaluation of statistical indicators in atoms: the non-relativistic and relativistic cases
摘要:
在这项工作中,计算的复杂性和费舍尔-香农信息的统计测量周期表中的所有原子。非相对论和相对论的情况下被认为是。我们遵循[C. P. Panos,N.S.尼古拉湾Ch. Chatzisavvas,C.C. Tsouros,arXiv:0812.3963v1],其使用原子轨道中电子的分数占据概率,而不是连续电子波函数。对于相对论情况下的壳层填充顺序,我们考虑了电子自旋轨道相互作用的影响。随着原子序数$Z$的增加,统计复杂度和Fisher-Shannon信息量都增加。相对论情况下的Fisher-Shannon信息较好地显示了壳层结构和不规则的壳层填充。
英文摘要:
In this work, the calculation of a statistical measure of complexity and the Fisher-Shannon information is performed for all the atoms in the periodic table. Non-relativistic and relativistic cases are considered. We follow the method suggested in [C.P. Panos, N.S. Nikolaidis, K. Ch. Chatzisavvas, C.C. Tsouros, arXiv:0812.3963v1] that uses the fractional occupation probabilities of electrons in atomic orbitals, instead of the continuous electronic wave functions. For the order of shell filling in the relativistic case, we take into account the effect due to electronic spin-orbit interaction. The increasing of both magnitudes, the statistical complexity and the Fisher-Shannon information, with the atomic number $Z$ is observed. The shell structure and the irregular shell filling is well displayed by the Fisher-Shannon information in the relativistic case.
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