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A self-consistent field solution for buckminsterfullerene

Producción científica: Articlerevisión exhaustiva

2 Citas (Scopus)

Resumen

We present a self-consistent field solution for the fullerene molecule. The approach combines Poisson's equation with the density of π electrons derived within the first-order approximation of the many-body perturbation theory. This equation is solved analytically by considering a point structure of the positive charges. It is found also that the π electrons are confined, in majority, inside the shell. It must be stressed here that other results recorded in the field predict that only less than half of all π electrons are inside the shell.

Idioma originalEnglish
Páginas (desde-hasta)49-57
Número de páginas9
PublicaciónFullerene Science and Technology
Volumen7
N.º1
DOI
EstadoPublished - 1999

ASJC Scopus subject areas

  • General Chemical Engineering

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