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Photoionization of C<sub>60</sub>: a model study

Mohamed El‐Amine MadjetFreie Universität, Institut für Chemie (Kristallographie), Takustrasse 6, D-14195 Berlin, GermanyHimadri ChakrabortyDepartment of Chemistry and Physics, Northwest Missouri State University, Maryville, MO 64468, USAJan M. RostMax-Planck-Institut für Physik Komplexer Systeme, Nöthnitzer Strasse 38, D-01187 Dresden, GermanySteven T. MansonDepartment of Physics and Astronomy, Georgia State University, Atlanta, GA 30303, USA

2008en

ABI

Annotatsiya

Time-dependent density functional theory is used to calculate the total and subshell photoionization cross sections of C60. The core of 60 C4+ ions is smeared into a classical jellium shell before treating the correlated motion of the 240 valence electrons quantum mechanically. The calculation reveals two collective plasmon resonances in the total cross section in agreement with the experiment. It is found that a phase-coherent superposition of amplitudes leading to enhancements in the ionization from various C60 subshells in two distinct energy regions essentially builds the plasmons. While the result shows good qualitative agreement with the experiments, the limitation of the model to describe the data in quantitative detail is discussed.

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DOI: 10.1088/0953-4075/41/10/105101

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