Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation
Materials Science
2009-03-03 v3
Abstract
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 and Ne.
Cite
@article{arxiv.0812.3302,
title = {Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation},
author = {Julien Toulouse and Iann C. Gerber and Georg Jansen and Andreas Savin and János G. Ángyán},
journal= {arXiv preprint arXiv:0812.3302},
year = {2009}
}
Comments
4 pages, 2 figures