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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