Abstract
A general functional form for the exchange-correlation energy of the density-functional theory, valid for widely separated fragments of matter, has recently been proposed [1]. For many kinds of dimers it gives good van der Waals coefficients. Here we also show results for atoms outside surfaces, where it gives a z-3 behavior and reasonable van der Waals coefficients.
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Andersson, Y., Hult, E., Langreth, D.C., Lundqvist, B.I. (1996). van der Waals Density Functional for Atoms and Surfaces. In: Okiji, A., Kasai, H., Makoshi, K. (eds) Elementary Processes in Excitations and Reactions on Solid Surfaces. Springer Series in Solid-State Sciences, vol 121. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-61185-8_5
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DOI: https://doi.org/10.1007/978-3-642-61185-8_5
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