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Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)

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 نشر من قبل A. Lichtenstein
 تاريخ النشر 2009
  مجال البحث فيزياء
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The electronic structure of a prototype Kondo system, a cobalt impurity in a copper host is calculated with accurate taking into account of correlation effects on the Co atom. Using the recently developed continuous-time QMC technique, it is possible to describe the Kondo resonance with a complete four-index Coulomb interaction matrix. This opens a way for completely first-principle calculations of the Kondo temperature. We have demonstrated that a standard practice of using a truncated Hubbard Hamiltonian to consider the Kondo physics can be quantitatively inadequate.


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