Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion
Strongly Correlated Electrons
2015-06-11 v1 Materials Science
Atomic and Molecular Clusters
Abstract
We discuss the ground state of Benzene dianion (Bz) on the basis of the numerical diagonalization method of an effective model of orbitals. It is found that the ground state can be the spin singlet state, and the exchange coupling between LUMOs can be antiferromagnetic.
Keywords
Cite
@article{arxiv.1208.2817,
title = {Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion},
author = {Hiroyasu Matsuura and Kazumasa Miyake and Hidetoshi Fukuyama},
journal= {arXiv preprint arXiv:1208.2817},
year = {2015}
}
Comments
Accepted for publication in J. Phys. Soc. Jpn., 2 pages, 3 figures