薄导电圆柱体之间的弥散相互作用。

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Subhojit Pal, Iver Brevik and Mathias Boström
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引用次数: 0

摘要

本研究探讨了两个拉长导电分子之间的基态和激发态共振偶极-偶极相互作用能。我们回顾了基态相互作用的现状。研究发现,这种相互作用的范围比分子为点状非传导时要长得多。这些都是戴维斯、宁汉姆和里士满早先发现的众所周知的结果,后来卢比奥和合作者使用不同的形式主义也发现了这些结果。我们展示了如何将该理论扩展到激发态相互作用。从我们的计算中观察到的一个特性是,在长程极限中,共振和范德华情况下,相互作用能量对分离(R)的依赖性都遵循 f(R)/R2。在某些限制条件下,f(R) 具有对数依赖性,而在其他限制条件下,它具有恒定值。我们预测导电分子间的能量传递会出现异常缓慢的衰减速率。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Dispersion interaction between thin conducting cylinders

Dispersion interaction between thin conducting cylinders

Dispersion interaction between thin conducting cylinders

The ground state and excited state resonance dipole–dipole interaction energy between two elongated conducting molecules is explored in this study. We review the current status for ground state interactions. This interaction is found to be of a much longer range than in the case when the molecules are pointlike and nonconducting. These are well known results found earlier by Davies, Ninham, and Richmond, and later, using a different formalism, by Rubio and co-workers. We show how the theory can be extended to excited state interactions. A characteristic property observed from our calculation is that the interaction energy dependence on separation (R) follows f(R)/R2 for both resonance and van der Waals cases in the long-range limit. Under some limits, f(R) has a logarithmic dependency, while under others, it has constant values. We predict an unusual slow decay rate for the energy transfer between conducting molecules.

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来源期刊
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
5.50
自引率
9.10%
发文量
2675
审稿时长
2.0 months
期刊介绍: Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.
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