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arXiv 1406.7345math-phcond-mat.stat-mechmath.FAmath.MP
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多粒子密度的经典反问题

The Classical Inverse Problem for Multi-Particle Densities in the Canonical Ensemble Formulation

Irina Navrotskaya

摘要:

本文给出了多粒子密度正则分布下经典反问题解的充分条件。具体来说,我们表明,存在一个独特的潜在的形式的总和的m-粒子(m大于1)的相互作用产生一个给定的m-粒子密度。多粒子反问题解的存在唯一性是利用结构数据导出的有效势进行物质数值模拟的基础。这种势常用于粗粒度建模.多粒子逆猜想的有效性也对液态理论有影响。例如,它提供了第一步,证明存在的层次的广义Ornstein-Zernike关系。对于巨正则分布,Chayes和Chayes [J. Stat. Physics 36,471-488(1984)]。然而,正则系综的设置提出了独特的挑战,当粒子的数量是固定的时,不可能解耦相互作用。

英文摘要:

We provide sufficient conditions for the solution of the classical inverse problem in the canonical distribution for multi-particle densities. Specifically, we show that there exists a unique potential in the form of a sum of m-particle (m greater then 1) interactions producing a given m-particle density. The existence and uniqueness of the solution to the multi-particle inverse problem is essential for the numerical simulations of matter using effective potentials derived from structural data. Such potentials are often employed in coarse- grained modeling. The validity of the multi-particle inverse conjecture also has implications for liquid state theory. For example, it provides the first step in proving the existence of the hierarchy of generalized Ornstein-Zernike relations. For the grand canonical distribution, the multi-particle inverse problem has been solved by Chayes and Chayes [J. Stat. Physics 36, 471-488 (1984)]. However, the setting of the canonical ensemble presents unique challenges arising from the impossibility of uncoupling interactions when the number of particles is fixed.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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