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arxiv: 0812.3302 · v3 · submitted 2008-12-17 · ❄️ cond-mat.mtrl-sci

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation

classification ❄️ cond-mat.mtrl-sci
keywords adiabatic-connectionfluctuation-dissipationphaserandomrangeseparationapproachapproximation
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An adiabatic-connection fluctuation-dissipation theorem approach based on a range separation of electron-electron interactions is proposed. It involves a rigorous combination of short-range density functional and long-range random phase approximations. This method corrects several shortcomings of the standard random phase approximation and it is particularly well suited for describing weakly-bound van der Waals systems, as demonstrated on the challenging cases of the dimers Be$_2$ and Ne$_2$.

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