Antiferromagnetic ground state of La 2 CuO 4 : A parameter-free ab initio description
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DOI: 10.1103/physrevb.98.125140
Abstract: We show how an accurate first-principles treatment of the antiferromagnetic ground state of ${\mathrm{La}}_{2}{\mathrm{CuO}}_{4}$ can be obtained without invoking any free parameters such as the Hubbard $U$. The magnitude and orientation of our theoretically predicted… read more here.
Keywords: antiferromagnetic ground; ground state; state cuo;