The strongly diamagnetic character of an isolated molecule of C-60, predicted by several theoretical treatments, is confirmed by a gauge-origin-independent calculation, performed within the CTOCD method at the Hartree-Fock level of approximation and using a large properties-oriented basis set. (C) 1997 Elsevier Science B.V.
Magnetic properties of C-60 calculated by continuous transformation of the origin of the current density
ZANASI, Riccardo;
1997-01-01
Abstract
The strongly diamagnetic character of an isolated molecule of C-60, predicted by several theoretical treatments, is confirmed by a gauge-origin-independent calculation, performed within the CTOCD method at the Hartree-Fock level of approximation and using a large properties-oriented basis set. (C) 1997 Elsevier Science B.V.File in questo prodotto:
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