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Charge-dipole model to compute the polarization of fullerenes
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10.1063/1.2337524
/content/aip/journal/apl/89/6/10.1063/1.2337524
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/6/10.1063/1.2337524

Figures

Image of FIG. 1.
FIG. 1.

(Color online) Local electric field on the atoms of a subject to a uniform external field of applied horizontally to the left. (a) A dipole-only model is applied. The maximal (minimal) amplitude of the local fields is 2.879 . (b) The charge-and-dipole model is applied. Positive charges move to the left of the fullerene, while negative charges move to the right (the color scaling is proportional to the amplitude of these charges). The maximal (minimal) amplitude of the local fields is . The maximal (minimal) value of the induced charges is , with the absolute value of the electronic charge.

Tables

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Table I.

Comparison between results obtained using the Iso model and other data. Data used as target values for the determination of are underlined. refers to the average molecular polarizability. By , we mean the lateral polarizability per unit length of infinite carbon nanotubes (CNTs). By , we mean the internal over external value ratio of transverse electric fields [the reference value is provided by a model that describes the by a spherical shell (Ref. 14)].

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/content/aip/journal/apl/89/6/10.1063/1.2337524
2006-08-10
2014-04-25
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Charge-dipole model to compute the polarization of fullerenes
http://aip.metastore.ingenta.com/content/aip/journal/apl/89/6/10.1063/1.2337524
10.1063/1.2337524
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