“School of Nano-Sciences”
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| Paper IPM / Nano-Sciences / 8915 |
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The ground state energies and electrons distribution of endohedrally confined Hydrogen molecule and Hydrogen molecular ion by a molecule of C60 has been studied. We have used in our Diffusion Monte Carlo method study a familiar attractive shell model for C60 cage. The variation of ground state energies and electron distribution due to the strength of attractive potential have been computed. The effects of small variation of nuclei distance and attractive shell thickness have also been studied.
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