Multiband Hubbard Models and the Transition Metals

Gernot Stollhoff

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arXiv · 0906.5459

Multiband Hubbard Models and the Transition Metals

Gernot Stollhoff

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Abstract

Correlation computations on multiband Hubbard Hamiltonians are presented. It is shown why the proper degeneracy is of vital importance and that the atomic exchange interaction plays a particular role. The different methods are connected, and their results are discussed. Many experimental properties for the elemental solids can be explained by single closely related sets of parameters each. There is an exception, Tc of Fe. Here, a novel feature of longer-range interactions enters, as demonstrated on ab-initio results of the Local Ansatz for Fe. Connections are made to LSDA-calculations; and their seeming successes and deficiencies are explained.

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Gernot Stollhoff. 2009-06-30. Multiband Hubbard Models and the Transition Metals. https://arxiv.org/abs/0906.5459

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