Evidence map›Paper›PMID 35145091›Full record

ArticleNature communications2022

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

Alberto Ambrosetti, Paolo Umari, Pier Luigi Silvestrelli, Joshua Elliott, Alexandre Tkatchenko

Open access · goldAbstract read
In one paragraph

Article in Nature communications, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing papers in PubMed
3.8field-weighted citation impact, top 6% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

7 citing papers in PubMed, 25 citations in OpenAlex.

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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

5 authors at 3 institutions in 3 countries.

Alberto AmbrosettiDipartimento di Fisica e Astronomia, Università degli Studi di Padova, 35131, Padova, Italy. alberto.ambrosetti@unipd.it.ORCID http://orcid.org/0000-0002-9634-2181
Paolo UmariDipartimento di Fisica e Astronomia, Università degli Studi di Padova, 35131, Padova, Italy.
Pier Luigi SilvestrelliDipartimento di Fisica e Astronomia, Università degli Studi di Padova, 35131, Padova, Italy.
Joshua ElliottSchool of Chemical Engineering and Analytical Science, University of Manchester, Manchester, UK.
Alexandre TkatchenkoDepartment of Physics and Materials Science, University of Luxembourg, L-1511, Luxembourg City, Luxembourg. alexandre.tkatchenko@uni.lu.ORCID http://orcid.org/0000-0002-1012-4854
University of Padua · ITUniversity of Luxembourg · LUUniversity of Manchester · GB

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Molecular forces induced by optical excitations are connected to a wide range of phenomena, from chemical bond dissociation to intricate biological processes that underpin vision. Commonly, the description of optical excitations requires the solution of computationally demanding electronic Bethe-Salpeter equation (BSE). However, when studying non-covalent interactions in large-scale systems, more efficient methods are desirable. Here we introduce an effective approach based on coupled quantum Drude oscillators (cQDO) as represented by the many-body dispersion model. We find that the cQDO Hamiltonian yields semi-quantitative agreement with BSE calculations and that both attractive and repulsive optical van der Waals (vdW) forces can be induced by light. These optical-vdW interactions dominate over vdW dispersion in the long-distance regime, showing a complexity that grows with system size. Evidence of highly non-local forces in the human formaldehyde dehydrogenase 1MC5 protein suggests the ability to selectively activate collective molecular vibrations by photoabsorption, in agreement with recent experiments.

Identifiers

PMID35145091
PMCPMC8831584
OpenAlexW4211026924

What OpenQuestion holds

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Registered trials

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.