Name
Abstract | ||
|---|---|---|
The mathematical model of the ground state electron spectrum of a charged fullerene is constructed on the basis of the potential of a charged sphere and the spherically symmetric potential of a neutral fullerene, derived in a single-electron self-consistent field model approach. The electron spectrum is defined as the solution of the spectral problem for the one-dimensional Schrodinger equation. For the numerical solution of the spectral problem, piecewise-linear finite elements are used. The computational algorithm was tested on the analytical solution of the problem of the spectrum of the hydrogen atom. For solution of matrix spectral problems, a free library for solving spectral problems of SLEPc is used. The results of calculations of the electron spectrum of a charged fullerene C-60 are presented. |
Year | DOI | Venue |
|---|---|---|
2019 | 10.3846/mma.2019.017 | MATHEMATICAL MODELLING AND ANALYSIS |
Keywords | DocType | Volume |
fullerene,Schrodinger equation,spectral problem,finite element method | Journal | 24 |
Issue | ISSN | Citations |
2 | 1392-6292 | 0 |
PageRank | References | Authors |
0.34 | 0 | 3 |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Rafael V. Arutyunyan | 1 | 0 | 1.01 |
| yuri n obukhov | 2 | 0 | 0.68 |
| Petr N. Vabishchevich | 3 | 37 | 27.46 |