Quantum dynamics study of the hydrogen molecule confined in single- walled carbon nanotubes
نویسندگان
چکیده
In the present work a full-dimensional study of the dynamics of a hydrogen molecule confined in a narrow Single-walled Carbon Nanotube (SWCNT) is performed by using the Multi-configurational Time-dependent Hartree approach. New insights on the coupling between the different degrees of freedom of the molecule during the diffusion along the nanotube are found and discussed.
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