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dc.contributor.authorDobson, John F
dc.contributor.authorSavin, Andreas
dc.contributor.authorAngyan, Janos G
dc.contributor.authorLiu, Ru-Fen
dc.date.accessioned2017-05-15T01:09:48Z
dc.date.available2017-05-15T01:09:48Z
dc.date.issued2016
dc.identifier.issn0021-9606
dc.identifier.doi10.1063/1.4967959
dc.identifier.urihttp://hdl.handle.net/10072/101102
dc.description.abstractWe consider the zero-temperature van der Waals (vdW) interaction between two molecules, each of which has a zero or near-zero electronic gap between a ground state and the first excited state, using a toy model molecule (equilateral H3) as an example. We show that the van der Waals energy between two ground state molecules falls off as D−3 instead of the usual D−6 dependence, when the molecules are separated by distance D. We show that this is caused by a perfect “spooky” correlation between the two fluctuating electric dipoles. The phenomenon is related to, but not the same as, the “resonant” interaction between an electronically excited and a ground state molecule introduced by Eisenschitz and London in 1930. It is also an example of “type C van der Waals non-additivity” recently introduced by one of us [J. F. Dobson, Int. J. Quantum Chem. 114, 1157 (2014)]. Our toy molecule H3 is not stable, but symmetry considerations suggest that a similar vdW phenomenon may be observable, despite Jahn-Teller effects, in molecules with a discrete rotational symmetry and broken inversion symmetry, such as certain metal atom clusters. The motion of the nuclei will need to be included for a definitive analysis of such cases, however.
dc.description.peerreviewedYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.relation.ispartofpagefrom204107-1
dc.relation.ispartofpageto204107-11
dc.relation.ispartofjournalJournal of Chemical Physics
dc.relation.ispartofvolume145
dc.subject.fieldofresearchQuantum Physics not elsewhere classified
dc.subject.fieldofresearchTheoretical and Computational Chemistry not elsewhere classified
dc.subject.fieldofresearchPhysical Sciences
dc.subject.fieldofresearchChemical Sciences
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchcode020699
dc.subject.fieldofresearchcode030799
dc.subject.fieldofresearchcode02
dc.subject.fieldofresearchcode03
dc.subject.fieldofresearchcode09
dc.titleSpooky correlations and unusual van der Waals forces between gapless and near-gapless molecules
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
dc.description.versionAccepted Manuscript (AM)
gro.facultyGriffith Sciences, School of Natural Sciences
gro.rights.copyright© 2016 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics 145, 204107 (2016) and may be found at http://dx.doi.org/10.1063/1.4967959.
gro.hasfulltextFull Text
gro.griffith.authorDobson, John F.


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