Helium molecules within carbon nanotubes (CROSBI ID 102444)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Vranješ, Leandra ; Antunović, Željko ; Kilić, Srećko
engleski
Helium molecules within carbon nanotubes
The ground state properties of ^3He and ^4He dimers and trimers in infinite carbon nanotubes are studied. The ground state eigen-functions of a helium atom in tubes of different radii are obtained numerically and then fitted by analytic expressions. Total wave function is assumed to be a product of Jastrow-Feenberg (JF) pair correlation and one particle functions. After extensive Monte Carlo (MC) calculation in two successive stages, VMC (simple variational MC) and DMC (diffusion MC) it is found that binding depends on the tube radius and it has the maximum for a certain tube width. This radius is between 5 and 7\AA, and the average distance between atoms in such tubes is ranges from 5 to 10\AA. The difference in binding between bosons and fermions disappears for R goes to 0.
Helium dimer and trimer; binding; carbon nanotubes
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