LDA spherical jellium model for a fullerene C60 molecule as a basis for the many-body theory of photoionization and electron scattering

Vadim K. Ivanov; Galina Yu. Kashenock; Roman G. Polozkov; Andrey V. Solovyov

doi:10.1117/12.417629

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

Vadim K. Ivanov, Galina Yu. Kashenock, Roman G. Polozkov, Andrey V. Solovyov

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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 E_xc[(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.

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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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