Effects beyond the random-phase approximation in calculating the interaction between metal films

J. Jung, P. García-González, J. F. Dobson, R. W. Godby

Research output: Contribution to journalArticlepeer-review

68 Scopus citations

Abstract

The performance of the adiabatic-connection fluctuation-dissipation theorem is discussed through the implementation of a non-local energy optimized exchange-correlation kernel to account for short-range correlation effects. We evaluate the jellium surface energy, through a painstaking extrapolation of single slab calculations, as well as the binding and interaction energies between two and three jellium slabs. Whereas total electron correlation energies are rather sensitive to the details of the kernel, any physically well-motivated approximation within our framework describes binding energies (including surface energies) within the same level of accuracy.

Original languageEnglish
Article number205107
Pages (from-to)205107-1-205107-11
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume70
Issue number20
DOIs
StatePublished - Nov 2004

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