Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
Loading...
Date
Journal Title
Journal ISSN
Volume Title
Publisher
Abstract
Description
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$_2$.
4 pages, 2 figures
4 pages, 2 figures