most citedHeisenberg exchange enhancement by orbital relaxation in cuprate compounds

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cond-mat.str-el1997★ 81 cited

Heisenberg exchange enhancement by orbital relaxation in cuprate compounds

A. B. Van Oosten, R. Broer, W. C. Nieuwpoort

We calculate the Heisenberg exchange J in the quasi-2D antiferromagnetic cuprates La2CuO4, YBa2Cu3O6, Nd2CuO4 and Sr2CuO2Cl2. We apply all-electron (MC)SCF and non-orthogonal CI ca…