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Ground state properties of a confined simple atom by C$_{60}$ fullerene

M. Neek-Amal·G. Tayebirad·R. Asgari
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Abstract

We numerically study the ground state properties of endohedrally confined hydrogen (H) or helium (He) atom by a molecule of C$_{60}$. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and small off-centered H- or He-atom on the ground state properties of the systems and describe the variation of ground state energies due to the C$_{60}$ parameters and the confined atomic nuclei positions. Finally, we calculate the electron distributions in $x-z$ plane in a wide range of C$_{60}$ parameters.

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M. Neek-Amal, G. Tayebirad, R. Asgari. 2007-03-12. Ground state properties of a confined simple atom by C$_{60}$ fullerene. https://doi.org/10.1088/0953-4075%2F40%2F8%2F005

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