2024-03-29T09:54:45Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1020862016-02-18T02:53:08Zcom_10261_115com_10261_3col_10261_368
DIGITAL.CSIC
author
Ruzsinszky, Adrienn
author
Perdew, J. P.
author
Tao, Jianmin
author
Csonka, Gábor I.
author
Pitarke, José María
funder
National Science Foundation (US)
funder
Louisiana Board of Regents
2014-09-12T13:07:12Z
2014-09-12T13:07:12Z
2012
Physical Review Letters 109: 233203 (2012)
http://hdl.handle.net/10261/102086
10.1103/PhysRevLett.109.233203
http://dx.doi.org/10.13039/100000001http://dx.doi.org/10.13039/100006952
The van der Waals coefficients between quasispherical nanostructures can be modeled accurately and analytically by those of classical solid spheres (for nanoclusters) or spherical shells (for fullerenes) of uniform valence electron density, with the true static dipole polarizability. Here, we derive analytically and confirm numerically from this model the size dependencies of the van der Waals coefficients of all orders, showing, for example, that the asymptotic dependence for C6 is the expected n2 for pairs of nanoclusters An-An, each containing n atoms, but n2.75 for pairs of single-walled fullerenes Cn-Cn. Large fullerenes are argued to have much larger polarizabilities and dispersion coefficients than those predicted by either the standard atom pair-potential model or widely used nonlocal van der Waals correlation energy functionals. © 2012 American Physical Society.
eng
openAccess
van der Waals coefficients for nanostructures: Fullerenes defy conventional wisdom
artículo
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URL
https://digital.csic.es/bitstream/10261/102086/1/Fullerenes%20Defy.pdf
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https://digital.csic.es/bitstream/10261/102086/5/Fullerenes%20Defy.pdf.txt
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Fullerenes Defy.pdf.txt
URL
https://digital.csic.es/bitstream/10261/102086/5/Fullerenes%20Defy.pdf.txt
File
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Fullerenes Defy.pdf.txt