Literature DB >> 16942370

Many-body effects of dispersion interaction.

A G Donchev1.   

Abstract

The role of many-body (MB) dispersion forces have been analyzed for strands, films, and cubic lattices in the framework of a model Hamiltonian that allows exact solution of the multiparticle Shrodinger equation. For the systems investigated the MB contribution may be as large as 7% of specific dispersion energy and 11% of solvation energy. Nonadditivity becomes particularly important for aggregation in solution, where its effect may be several times larger than the pairwise contribution. For all systems considered, the three-body Axilrod-Teller approximation was insufficient to predict the magnitude and in some cases even the sign of the full MB effect.

Entities:  

Year:  2006        PMID: 16942370     DOI: 10.1063/1.2337283

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  9 in total

1.  Collective many-body van der Waals interactions in molecular systems.

Authors:  Robert A DiStasio; O Anatole von Lilienfeld; Alexandre Tkatchenko
Journal:  Proc Natl Acad Sci U S A       Date:  2012-08-24       Impact factor: 11.205

2.  Probing substituent effects in aryl-aryl interactions using stereoselective Diels-Alder cycloadditions.

Authors:  Steven E Wheeler; Anne J McNeil; Peter Müller; Timothy M Swager; K N Houk
Journal:  J Am Chem Soc       Date:  2010-03-17       Impact factor: 15.419

3.  Polarizable Water Potential Derived from a Model Electron Density.

Authors:  Joshua A Rackers; Roseane R Silva; Zhi Wang; Jay W Ponder
Journal:  J Chem Theory Comput       Date:  2021-10-26       Impact factor: 6.006

4.  Scaling laws for van der Waals interactions in nanostructured materials.

Authors:  Vivekanand V Gobre; Alexandre Tkatchenko
Journal:  Nat Commun       Date:  2013       Impact factor: 14.919

5.  Tailoring van der Waals dispersion interactions with external electric charges.

Authors:  Andrii Kleshchonok; Alexandre Tkatchenko
Journal:  Nat Commun       Date:  2018-08-01       Impact factor: 14.919

6.  Optical van-der-Waals forces in molecules: from electronic Bethe-Salpeter calculations to the many-body dispersion model.

Authors:  Alberto Ambrosetti; Paolo Umari; Pier Luigi Silvestrelli; Joshua Elliott; Alexandre Tkatchenko
Journal:  Nat Commun       Date:  2022-02-10       Impact factor: 17.694

7.  New scaling relations to compute atom-in-material polarizabilities and dispersion coefficients: part 1. Theory and accuracy.

Authors:  Thomas A Manz; Taoyi Chen; Daniel J Cole; Nidia Gabaldon Limas; Benjamin Fiszbein
Journal:  RSC Adv       Date:  2019-06-19       Impact factor: 4.036

8.  Average and extreme multi-atom Van der Waals interactions: strong coupling of multi-atom Van der Waals interactions with covalent bonding.

Authors:  Alexei V Finkelstein
Journal:  Chem Cent J       Date:  2007-07-30       Impact factor: 4.215

9.  Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions.

Authors:  Martin A Blood-Forsythe; Thomas Markovich; Robert A DiStasio; Roberto Car; Alán Aspuru-Guzik
Journal:  Chem Sci       Date:  2015-10-27       Impact factor: 9.825

  9 in total

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