### 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 language | English (US) |
---|---|

Pages (from-to) | 49-57 |

Number of pages | 9 |

Journal | Fullerene Science and Technology |

Volume | 7 |

Issue number | 1 |

State | Published - 1999 |

Externally published | Yes |

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### ASJC Scopus subject areas

- Chemical Engineering(all)

### Cite this

*Fullerene Science and Technology*,

*7*(1), 49-57.

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

Research output: Contribution to journal › Article

*Fullerene Science and Technology*, vol. 7, no. 1, pp. 49-57.

}

TY - JOUR

T1 - A self-consistent field solution for buckminsterfullerene

AU - Despa, Florin

PY - 1999

Y1 - 1999

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0032714909&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0032714909&partnerID=8YFLogxK

M3 - Article

VL - 7

SP - 49

EP - 57

JO - Fullerenes Nanotubes and Carbon Nanostructures

JF - Fullerenes Nanotubes and Carbon Nanostructures

SN - 1536-383X

IS - 1

ER -