Effective screening of medium-assisted Van der Waals interactions between embedded particles

The effect of an implicit medium on dispersive interactions of particle pairs is discussed and simple expressions for the correction relative to vacuum are derived. We show that a single point Gauss quadrature leads to the intuitive result that the vacuum van der Waals $C_6$ coefficient is screened by the permittivity squared of the environment evaluated near to the resonance frequencies of the interacting particles. This approximation should be particularly relevant if the medium is transparent at these frequencies. In the manuscript, we provide simple models and sets of parameters for commonly used solvents, atoms and small molecules.

Macroscopic Quantum Electrodynamics and Density Functional Theory Approaches to Dispersion Interactions between Fullerenes

The processing and material properties of commercial organic semiconductors, for e.g. fullerenes is largely controlled by their precise arrangements, specially intermolecular symmetries, distances and orientations, more specifically, molecular polarisabilities. These supramolecular parameters heavily influence their electronic structure, thereby determining molecular photophysics and therefore dictating their usability as n-type semiconductors. In this article we evaluate van der Waals potentials of a fullerene dimer model system using two approaches: a) Density Functional Theory and, b) Macroscopic Quantum Electrodynamics, which is particularly suited for describing long-range van der Waals interactions. Essentially, we determine and explain the model symmetry, distance and rotational dependencies on binding energies and spectral changes. The resultant spectral tuning is compared using both methods showing correspondence within the constraints placed by the different model assumptions. We envision that the application of macroscopic methods and structure/property relationships laid forward in this article will find use in fundamental supramolecular electronics.

Non-trivial retardation effects in dispersion forces: From anomalous distance dependence to novel traps

In the study of dispersion forces, nonretarded, retarded and thermal asymptotes with their distinct scaling laws are regarded as cornerstone results governing interactions at different separations. Here, we show that when particles interact in a medium, the influence of retardation is qualitatively different, making it necessary to consider the non-monotonous potential in full. We discuss different regimes for several cases and find an anomalous behaviour of the retarded asymptote. It can change sign, and lead to a trapping potential.