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首页> 外文期刊>The Journal of Chemical Physics >Fully retarded van der Waals interaction between dielectric nanoclusters
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Fully retarded van der Waals interaction between dielectric nanoclusters

机译:介电纳米团簇之间的全阻范德华相互作用

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The van der Waals (dispersion) interaction between an atom and a cluster or between two clusters at large separation is calculated by considering each cluster as a point particle, characterized by a polarizability tensor. For the extreme limit of very large separation, the fully retarded regime, one needs to know just the static polarizability in order to determine the interaction. This polarizability is evaluated by including all many-body (MB) intracluster atomic interactions self-consistently. The results of these calculations are compared with those obtained from various alternative methods. One is to consider each cluster as a collection of many atoms and evaluate the sum of two-body interatomic interactions, a common assumption. An alternative method is to include three-body atomic interactions as a MB correction term in the total energy. A comparison of these results reveals that the contribution of the higher-than-three-body MB interactions is always attractive and non-negligible even at such a large separation, in contrast to common assumptions. The procedure employed is quite general and is applicable, in principle, to any shape or size of dielectric cluster. We present numerical results for clusters composed of atoms with polarizability consistent with silica, for which the higher-than-three-body MB correction term can be as high as 42% of the atomic pairwise sum. This result is quite sensitive to the anisotropy and orientation of the cluster, in contrast to the result found in the additive case. We also present a power law expansion of the total van der Waals interaction as a series of n-body interaction terms. (c) 2006 American Institute of Physics.
机译:通过将每个簇视为点粒子,以极化度张量为特征,计算原子与簇之间或两个簇之间的范德华相互作用(分散)。对于非常大的分离极限(完全延迟的状态),人们仅需知道静态极化率即可确定相互作用。通过自洽地包含所有多体(MB)团簇内原子相互作用来评估这种极化性。将这些计算的结果与从各种替代方法获得的结果进行比较。一种是将每个簇视为许多原子的集合,并评估两体原子间相互作用的总和,这是一个常见的假设。一种替代方法是将三体原子相互作用作为总能量中的MB校正项。这些结果的比较表明,与三者相比,高于三体的MB相互作用的贡献即使在如此大的间隔下也始终有吸引力且不可忽略。所采用的程序是相当通用的,并且原则上适用于任何形状或大小的电介质簇。我们提供了由具有与二氧化硅一致的可极化性的原子组成的簇的数值结果,对于该簇,高于三体的MB校正项可以高达原子成对总和的42%。与可加情况相比,该结果对簇的各向异性和取向非常敏感。我们还提出了范德华相互作用的幂定律展开式,它是一系列n体相互作用项。 (c)2006年美国物理研究所。

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