...
首页> 外文期刊>The Journal of Chemical Physics >Fully retarded van der Waals interaction between dielectric nanoclusters
【24h】

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

获取原文
获取原文并翻译 | 示例
           

摘要

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.
机译:原子与团簇之间或两个团簇之间的范德华(色散)相互作用是通过将每个团簇视为点粒子来计算的,其极化率张量为特征。对于非常大的分离的极限,完全延迟在这种情况下,人们仅需知道静态极化率即可确定相互作用。通过对所有多体(MB)团簇内原子相互作用进行自洽来评估这种极化率。将这些计算结果与从各种方法获得的结果进行比较一种方法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。另一种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,高于三体的MB相互作用的贡献始终是有吸引力的,而且即使在如此大的分离,与通常的假设相反。所采用的程序相当普遍,原则上适用于任何形状或大小的介电团簇。我们给出了由具有与二氧化硅一致的极化率的原子组成的团簇的数值结果,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,该结果对团簇的各向异性和取向非常敏感。还提出了总范德华相互作用的幂定律展开式,作为一系列n体相互作用项。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号