NUMERICAL SIMULATION OF CHARGED FULLERENE SPECTRUM
MATHEMATICAL MODELLING AND ANALYSIS(2019)
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.
MoreTranslated text
Key words
fullerene,Schrodinger equation,spectral problem,finite element method
AI Read Science
Must-Reading Tree
Example
![](https://originalfileserver.aminer.cn/sys/aminer/pubs/mrt_preview.jpeg)
Generate MRT to find the research sequence of this paper
Chat Paper
Summary is being generated by the instructions you defined