A self-consistent field solution for buckminsterfullerene

Florin Despa

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)49-57
Number of pages9
JournalFullerene Science and Technology
Volume7
Issue number1
StatePublished - 1999
Externally publishedYes

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buckminsterfullerene
Fullerenes
self consistent fields
Electrons
electrons
Poisson equation
fullerenes
perturbation theory
Molecules
approximation
Buckminsterfullerene
molecules

ASJC Scopus subject areas

  • Chemical Engineering(all)

Cite this

A self-consistent field solution for buckminsterfullerene. / Despa, Florin.

In: Fullerene Science and Technology, Vol. 7, No. 1, 1999, p. 49-57.

Research output: Contribution to journalArticle

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