Generating charge densities of fullerenes
- 15 April 2002
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 65 (15) , 153410
- https://doi.org/10.1103/physrevb.65.153410
Abstract
A simple procedure is presented to generate the occupied electron charge density of an arbitrary fullerene structure. The generated charge density has an error of compared to the ab initio self-consistently calculated charge density, and it leads to an error of for the eigenenergy spectrum and per atom error for the total energy.
Keywords
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