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 |
|---|---|
| Pages (from-to) | 49-57 |
| Number of pages | 9 |
| Journal | Fullerene Science and Technology |
| Volume | 7 |
| Issue number | 1 |
| DOIs | |
| State | Published - 1999 |
ASJC Scopus subject areas
- General Chemical Engineering