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1 February 2001 LDA spherical jellium model for a fullerene C60 molecule as a basis for the many-body theory of photoionization and electron scattering
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Proceedings Volume 4348, Fourth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering; (2001) https://doi.org/10.1117/12.417629
Event: Fourth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, 2000, St. Petersburg, Russian Federation
Abstract
In this work we have developed a simple self-consistent spherical model for the treatment of the outer shell electron structure in the fullerene C60 molecule, starting from the self-consistent solution of the Kohn-Sham equation within the local-density approximation (LDA) for the exchange-correlation functional Exc[(rho) ]. Our model is applicable for the many-body description of various collision processes involving the fullerene C60, in which only valence electrons are important. Using our model one can describe the plasmon resonance structure in the photoabsorption and electron loss spectra in the vicinity of 19 eV.
© (2001) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Vadim K. Ivanov, Galina Yu. Kashenock, Roman G. Polozkov, and Andrey V. Solovyov "LDA spherical jellium model for a fullerene C60 molecule as a basis for the many-body theory of photoionization and electron scattering", Proc. SPIE 4348, Fourth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (1 February 2001); https://doi.org/10.1117/12.417629
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