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dc.contributor.authorGould, Tim
dc.date.accessioned2018-09-05T04:07:15Z
dc.date.available2018-09-05T04:07:15Z
dc.date.issued2016
dc.identifier.issn0021-9606
dc.identifier.doi10.1063/1.4961643
dc.identifier.urihttp://hdl.handle.net/10072/142961
dc.description.abstractIn this work, we investigate how atomic C6 coefficients and static dipole polarizabilities α scale with effective volume. We show, using confined atoms covering rows 1-5 of the periodic table, that C6/CR6≈(V/VR)pZ and α/αR≈(V/VR)p′Z (for volume V=∫dr4π3r3n(r)), where CR6, αR, and VR are the reference values and effective volume of the free atom. The scaling exponents pZ and p′Z vary substantially as a function of element number Z = N, in contrast to the standard “rule of thumb” that pZ = 2 and p′Z=1. Remarkably, we find that the polarizability and C6 exponents p′ and p are related by p′ ≈ p − 0.615 rather than the expected p′ ≈ p/2. Results are largely independent of the form of the confining potential (harmonic, cubic, and quartic potentials are considered) and kernel approximation, justifying this analysis.
dc.description.peerreviewedYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.relation.ispartofpagefrom084308-1
dc.relation.ispartofpageto084308-9
dc.relation.ispartofjournalJournal of Chemical Physics
dc.relation.ispartofvolume145
dc.subject.fieldofresearchPhysical sciences
dc.subject.fieldofresearchOther physical sciences not elsewhere classified
dc.subject.fieldofresearchChemical sciences
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchcode51
dc.subject.fieldofresearchcode519999
dc.subject.fieldofresearchcode34
dc.subject.fieldofresearchcode40
dc.titleHow polarizabilities and C6 coefficients actually vary with atomic volume
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
dc.description.versionVersion of Record (VoR)
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 145, 084308 (2016) and may be found at https://aip.scitation.org/doi/10.1063/1.4961643.
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gro.griffith.authorGould, Tim J.


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