范德华束缚分子与材料中偶极量子涨落之间的库仑相互作用
Coulomb Interactions between Dipolar Quantum Fluctuations in van der Waals Bound Molecules and Materials
AI总结：
本研究揭示范德华体系中偶极量子涨落间的库仑相互作用可达6 kJ/mol，影响长程作用，主张系统评估库仑单态以解释纳米材料中的集体行为。
摘要：
电子之间的相互库仑相互作用导致了许多有趣的物理和化学效应，尤其是当这些相互作用涉及大空间尺度上众多涨落电子时。在此，我们在范德华复合物和材料的背景下，识别并详细研究了偶极量子涨落之间的库仑相互作用。迄今为止，由量子范德华相互作用引起的电子密度改变所产生的相互作用被认为是可以忽略不计的微小量。我们证明，在超分子系统中以及嵌入纳米结构中的分子里，此类贡献可高达6 kJ/mol，甚至可能导致长程范德华相互作用的定性变化。考虑到这些广泛的影响，我们主张在大分子系统中系统性地评估所谓的库仑单态，并讨论它们对于解释近期在纳米结构材料中观察到的若干令人困惑的集体行为实验现象的相关性。
英文摘要：
Mutual Coulomb interactions between electrons lead to a plethora of interesting physical and chemical effects, especially if those interactions involve many fluctuating electrons over large spatial scales. Here, we identify and study in detail the Coulomb interaction between dipolar quantum fluctuations in the context of van der Waals complexes and materials. Up to now, the interaction arising from the modification of the electron density due to quantum van der Waals interactions was considered to be vanishingly small. We demonstrate that in supramolecular systems and for molecules embedded in nanostructures, such contributions can amount to up to 6 kJ/mol and can even lead to qualitative changes in the long-range vdW interaction. Taking into account these broad implications, we advocate for the systematic assessment of so-called Coulomb singles in large molecular systems and discuss their relevance for explaining several recent puzzling experimental observations of collective behavior in nanostructured materials.
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。
