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

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

2008-12-17

arxiv.org/abs/0812.3302v3

Phys. Rev. Lett. 102, 096404 (2009)

Physics

Condensed Matter

Materials Science

4 pages, 2 figures

Scientific paper

10.1103/PhysRevLett.102.096404

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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