Real-space multiple-scattering approach to the van der Waals interaction

ELECTRONIC STRUCTURE(2024)

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摘要
The van der Waals (vdW) interaction between non-overlapping systems arises from long-range correlations in electronic systems due to the attraction between their coupled density fluctuations. Here we present a treatment based on a generalized real-space multiple-scattering approach which is applicable to both spherical and non-spherical geometries. The method is tested for the vdW interactions between two isolated atoms.
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关键词
Green's function,real-space multiple-scattering,van der Waals
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