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相互作用的电子、自旋统计和信息论。

Interacting electrons, spin statistics, and information theory.

机构信息

Max-Planck-Institut für Polymerforschung, Ackermannweg 10, D-55128 Mainz, Germany.

出版信息

J Chem Phys. 2010 Jan 7;132(1):014106. doi: 10.1063/1.3280953.

Abstract

We consider a nearly (or quasi) uniform gas of interacting electrons for which spin statistics play a crucial role. A previously developed procedure, based on the extension of the Levy-Lieb constrained search principle and Monte Carlo sampling of electron configurations in space, allows us to approximate the form of the kinetic-energy functional. For a spinless electron gas, this procedure led to a correlation term, which had the form of the Shannon entropy, but the resulting kinetic-energy functional does not satisfy the Lieb-Thirring inequality, which is rigorous and one of the most general relations regarding the kinetic energy. In this paper, we show that when the fermionic character of the electrons is included via a statistical spin approach, our procedure leads to correlation terms, which also have the form of the Shannon entropy and the resulting kinetic-energy functional does satisfy the Lieb-Thirring inequality. In this way we further strengthen the connection between Shannon entropy and electron correlation and, more generally, between information theory and quantum mechanics.

摘要

我们考虑一种近(或准)均匀的相互作用电子气体,其中自旋统计起着至关重要的作用。我们之前开发的一种方法,基于 Levy-Lieb 约束搜索原理的扩展和电子在空间中的构型的蒙特卡罗抽样,允许我们近似动能泛函的形式。对于无自旋电子气体,该方法导致了一个关联项,其形式为香农熵,但得到的动能泛函不满足 Lieb-Thirring 不等式,该不等式是严格的,也是关于动能的最一般关系之一。在本文中,我们表明,当通过统计自旋方法包含电子的费米子特性时,我们的方法导致关联项,其形式也为香农熵,并且得到的动能泛函确实满足 Lieb-Thirring 不等式。通过这种方式,我们进一步加强了香农熵和电子关联之间的联系,更一般地说,加强了信息论和量子力学之间的联系。

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