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  Non-additivity of molecule-surface van der Waals potentials from force measurements

Wagner, C., Fournier, N., Ruiz, V. G., Li, C., Muellen, K., Rohlfing, M., et al. (2014). Non-additivity of molecule-surface van der Waals potentials from force measurements. Nature Communications, 5(11): 5568. doi:10.1038/ncomms6568.

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 Creators:
Wagner, Christian1, 2, Author
Fournier, Norman1, 2, Author
Ruiz, Victor G.3, Author           
Li, Chen4, Author
Muellen, Klaus4, Author
Rohlfing, Michael5, Author
Tkatchenko, Alexandre3, Author           
Temirov, Ruslan1, 2, Author
Tautz, F. Stefan1, 2, Author
Affiliations:
1Peter Grünberg Institut (PGI-3), Forschungszentrum Jülich, 52425 Jülich, Germany, ou_persistent22              
2Jülich Aachen Research Alliance (JARA)-Fundamentals of Future Information Technology, 52425 Jülich, Germany, ou_persistent22              
3Theory, Fritz Haber Institute, Max Planck Society, ou_634547              
4MPI for Polymer Research, Max Planck Society, ou_1309545              
5Institut für Festkörpertheorie der Universität Münster, Wilhelm-Klemm-Straße 10, 48149 Münster, Germany, ou_persistent22              

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Free keywords: Chemical sciences Physical chemistry Atomic and molecular physics Nanotechnology
 Abstract: Van der Waals (vdW) forces act ubiquitously in condensed matter. Their description as an
inherently quantum mechanical phenomenon was developed for single atoms and homogeneous
macroscopic bodies by London, Casimir, and Lifshitz. For intermediate-sized objects
like organic molecules an atomistic description is required, but explicit first principles
calculations are very difficult since correlations between many interacting electrons have to
be considered. Hence, semi-empirical correction schemes are often used that simplify the
vdW interaction to a sum over atom-pair potentials. A similar gap exists between successful
measurements of vdW and Casimir forces for single atoms on the one hand and
macroscopic bodies on the other, as comparable experiments for molecules are absent.

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Language(s): eng - English
 Dates: 2013-11-202014-10-142014-11-26
 Publication Status: Published online
 Pages: 8
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1038/ncomms6568
 Degree: -

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Project name : SMALL - Surfaces for molecular recognition at the atomic level
Grant ID : 238804
Funding program : Funding Programme 7 (FP7)
Funding organization : European Commission (EC)

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Title: Nature Communications
  Abbreviation : Nat. Commun.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: London : Nature Publishing Group
Pages: - Volume / Issue: 5 (11) Sequence Number: 5568 Start / End Page: - Identifier: ISSN: 2041-1723
CoNE: https://pure.mpg.de/cone/journals/resource/2041-1723