Van der Waals interaction as a summable asymptotic series

John P. Perdew, Adrienn Ruzsinszky, Jianwei Sun, Stephen Glindmeyer, G. Csonka

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

The dynamic multipole polarizabilities and thus the second-order van der Waals coefficients C2k of all orders are known exactly for the interaction between two classical spherical conducting shells, each of uniform electron density ρ with outer radius R and thickness t. The result is C 2k=-ck(t/R)√4πρ[ (2R)2]k. The ck approach a limiting constant value, so the infinite series for the van der Waals interaction at separation d, -C6/d6-C8/d8-, can be summed analytically, diverging only for d≤2R. This divergence can be removed without changing the asymptotic series. Real quasispherical objects like nanoclusters, fullerenes, and even atoms can be approximated by this spherical-shell model, with R fixed by the true static dipole polarizability. Once t/R is fixed, all the higher coefficients are determined by just C6 and C8. Finally, we compare the exact C2k to those from a pair interaction model, which works for solid spheres (t=R) but not for fullerenes.

Original languageEnglish
Article number062714
JournalPhysical Review A
Volume86
Issue number6
DOIs
Publication statusPublished - Dec 26 2012

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asymptotic series
fullerenes
spherical shells
interactions
coefficients
nanoclusters
multipoles
divergence
dipoles
conduction
radii
atoms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Van der Waals interaction as a summable asymptotic series. / Perdew, John P.; Ruzsinszky, Adrienn; Sun, Jianwei; Glindmeyer, Stephen; Csonka, G.

In: Physical Review A, Vol. 86, No. 6, 062714, 26.12.2012.

Research output: Contribution to journalArticle

Perdew, John P. ; Ruzsinszky, Adrienn ; Sun, Jianwei ; Glindmeyer, Stephen ; Csonka, G. / Van der Waals interaction as a summable asymptotic series. In: Physical Review A. 2012 ; Vol. 86, No. 6.
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