Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials

High-level methods to describe van der Waals interactions are limited due to their computational cost. This work introduces a new theoretical approach, that extends the dipolar many-body dispersion formalism to higher-order contributions, demonstrated to be applicable to practically-relevant systems...

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Autores principales:	Martin Stöhr, Mainak Sadhukhan, Yasmine S. Al-Hamdani, Jan Hermann, Alexandre Tkatchenko
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/f39bfe77bfab46c3a47d7d3585f0ef28
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id	oai:doaj.org-article:f39bfe77bfab46c3a47d7d3585f0ef28
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spelling	oai:doaj.org-article:f39bfe77bfab46c3a47d7d3585f0ef282021-12-02T15:16:22ZCoulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials10.1038/s41467-020-20473-w2041-1723https://doaj.org/article/f39bfe77bfab46c3a47d7d3585f0ef282021-01-01T00:00:00Zhttps://doi.org/10.1038/s41467-020-20473-whttps://doaj.org/toc/2041-1723High-level methods to describe van der Waals interactions are limited due to their computational cost. This work introduces a new theoretical approach, that extends the dipolar many-body dispersion formalism to higher-order contributions, demonstrated to be applicable to practically-relevant systems and nano-environments.Martin StöhrMainak SadhukhanYasmine S. Al-HamdaniJan HermannAlexandre TkatchenkoNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-9 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Martin Stöhr Mainak Sadhukhan Yasmine S. Al-Hamdani Jan Hermann Alexandre Tkatchenko Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
description	High-level methods to describe van der Waals interactions are limited due to their computational cost. This work introduces a new theoretical approach, that extends the dipolar many-body dispersion formalism to higher-order contributions, demonstrated to be applicable to practically-relevant systems and nano-environments.
format	article
author	Martin Stöhr Mainak Sadhukhan Yasmine S. Al-Hamdani Jan Hermann Alexandre Tkatchenko
author_facet	Martin Stöhr Mainak Sadhukhan Yasmine S. Al-Hamdani Jan Hermann Alexandre Tkatchenko
author_sort	Martin Stöhr
title	Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
title_short	Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
title_full	Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
title_fullStr	Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
title_full_unstemmed	Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials
title_sort	coulomb interactions between dipolar quantum fluctuations in van der waals bound molecules and materials
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/f39bfe77bfab46c3a47d7d3585f0ef28
work_keys_str_mv	AT martinstohr coulombinteractionsbetweendipolarquantumfluctuationsinvanderwaalsboundmoleculesandmaterials AT mainaksadhukhan coulombinteractionsbetweendipolarquantumfluctuationsinvanderwaalsboundmoleculesandmaterials AT yasminesalhamdani coulombinteractionsbetweendipolarquantumfluctuationsinvanderwaalsboundmoleculesandmaterials AT janhermann coulombinteractionsbetweendipolarquantumfluctuationsinvanderwaalsboundmoleculesandmaterials AT alexandretkatchenko coulombinteractionsbetweendipolarquantumfluctuationsinvanderwaalsboundmoleculesandmaterials
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Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials

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