dc.contributor.author | Gould, Tim | |
dc.date.accessioned | 2018-09-05T04:07:15Z | |
dc.date.available | 2018-09-05T04:07:15Z | |
dc.date.issued | 2016 | |
dc.identifier.issn | 0021-9606 | |
dc.identifier.doi | 10.1063/1.4961643 | |
dc.identifier.uri | http://hdl.handle.net/10072/142961 | |
dc.description.abstract | In 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.peerreviewed | Yes | |
dc.language | English | |
dc.language.iso | eng | |
dc.publisher | American Institute of Physics | |
dc.relation.ispartofpagefrom | 084308-1 | |
dc.relation.ispartofpageto | 084308-9 | |
dc.relation.ispartofjournal | Journal of Chemical Physics | |
dc.relation.ispartofvolume | 145 | |
dc.subject.fieldofresearch | Physical sciences | |
dc.subject.fieldofresearch | Other physical sciences not elsewhere classified | |
dc.subject.fieldofresearch | Chemical sciences | |
dc.subject.fieldofresearch | Engineering | |
dc.subject.fieldofresearchcode | 51 | |
dc.subject.fieldofresearchcode | 519999 | |
dc.subject.fieldofresearchcode | 34 | |
dc.subject.fieldofresearchcode | 40 | |
dc.title | How polarizabilities and C6 coefficients actually vary with atomic volume | |
dc.type | Journal article | |
dc.type.description | C1 - Articles | |
dc.type.code | C - Journal Articles | |
dc.description.version | Version of Record (VoR) | |
gro.faculty | Griffith 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. | |
gro.hasfulltext | Full Text | |
gro.griffith.author | Gould, Tim J. | |