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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Physical Review Lett...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Physical Review Letters
Article . 2009 . Peer-reviewed
License: APS Licenses for Journal Article Re-use
Data sources: Crossref
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Dispersionless Density Functional Theory

Authors: Katarzyna, Pernal; Rafał, Podeszwa; Konrad, Patkowski; Krzysztof, Szalewicz;

Dispersionless Density Functional Theory

Abstract

A new density functional (DF) method is proposed for calculations of intermolecular interaction energies. The exchange-correlation functional was optimized in such a way that the method recovers the interaction energies with the dispersion (including exchange-dispersion) component subtracted and therefore our approach is named the dispersionless DF (dlDF) method. The dlDF method is shown to predict very well the dispersionless part of the interaction energy for all types of intermolecular interactions. Thus, if combined with a dispersion component, computed ab initio or from a simple function fitted to ab initio values, it provides accurate and physically justified interaction energies in the whole range of intermolecular separations. Our dispersion function is significantly more accurate than the published ones.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
163
Top 1%
Top 1%
Top 1%
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