منابع مشابه
Extended Hubbard model on a C20 molecule
The electronic correlations on a C20 molecule, as described by an extended Hubbard Hamiltonian with a nearest-neighbor Coulomb interaction of strength V , are studied using quantum Monte Carlo and exact diagonalization methods. For electron-doped C20, it is known that pair binding arising from a purely electronic mechanism is absent within the standard Hubbard model (V = 0). Here we show that t...
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Rights: © 2011 American Physical Society (APS). This is the accepted version of the following article: Vehviläinen, T. T. & Ganchenkova, M. G. & Nieminen, Risto M. 2011. Nanoporous carbon structures based on C[sub 20]. Physical Review B. Volume 84, Issue 12. 125444/1-7. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.84.125444, which has been published in final form at http://journals.aps.or...
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The possible formation of a “cluster molecule” (C20)2 from two single C20 fullerenes is studied by the tight-binding method. Several (C20)2 isomers in which C20 fullerenes are bound by strong covalent forces and retain their identity are found; actually, these C20 fullerenes play the role of “atoms” in the “cluster molecule”. The so-called open-[2+2] isomer has a minimum energy. Its formation p...
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ژورنال
عنوان ژورنال: Chemistry Letters
سال: 2015
ISSN: 0366-7022,1348-0715
DOI: 10.1246/cl.150120