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arxiv: 1208.2817 · v1 · pith:JA5TYUYInew · submitted 2012-08-14 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci· physics.atm-clus

Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion

classification ❄️ cond-mat.str-el cond-mat.mtrl-sciphysics.atm-clus
keywords stateantiferromagneticbenzenedianionexchangegroundlumosbasis
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We discuss the ground state of Benzene dianion (Bz$^{2-}$) on the basis of the numerical diagonalization method of an effective model of $\pi$ orbitals. It is found that the ground state can be the spin singlet state, and the exchange coupling between LUMOs can be antiferromagnetic.

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