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arXiv 0902.3970physics.atom-ph
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类氢原子信息测度的相对论效应

Relativistic effects on information measures for hydrogen-like atoms

K. D. Sen, Jacob Katriel

摘要:

计算了类氢原子\emph{relativistic}基态的位置和动量信息测度。结果的事实,径向动量算子是不自伴的明确研究,表现出的径向位置和动量方差方面的传统的不确定性措施的根本缺点。Shannon和Rényi熵,Fisher信息测度,以及几个相关的信息测度,被认为是可行的替代方案。详细的结果发病的相对论效应低核电荷,并在极端的相对论极限。相对论位置密度在大$r$处呈指数衰减,但在原点处是奇异的。相应地,动量密度以$p$的倒数幂衰减。这两个特征都产生远离香农熵有限邻域的发散雷尼熵。虽然位置空间信息的措施,可以分析评估的非相对论和相对论氢原子,这是不是相对论动量空间的情况。一些结果允许有趣的洞察最近评估的Dirac-Fock与Hartree-Fock复杂性措施的意义,许多电子中性原子。

英文摘要:

Position and momentum information measures are evaluated for the ground state of the \emph{relativistic} hydrogen-like atoms. Consequences of the fact that the radial momentum operator is not self-adjoint are explicitly studied, exhibiting fundamental shortcomings of the conventional uncertainty measures in terms of the radial position and momentum variances. The Shannon and Rényi entropies, the Fisher information measure, as well as several related information measures, are considered as viable alternatives. Detailed results on the onset of relativistic effects for low nuclear charges, and on the extreme relativistic limit, are presented. The relativistic position density decays exponentially at large $r$, but is singular at the origin. Correspondingly, the momentum density decays as an inverse power of $p$. Both features yield divergent Rényi entropies away from a finite vicinity of the Shannon entropy. While the position space information measures can be evaluated analytically for both the nonrelativistic and the relativistic hydrogen atom, this is not the case for the relativistic momentum space. Some of the results allow interesting insight into the significance of recently evaluated Dirac-Fock vs. Hartree-Fock complexity measures for many-electron neutral atoms.

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