Screened Coulomb interactions between localized electrons in solids

ORAL

Abstract

An accurate description of the Coulomb interaction between localized electrons in solids remains a fundamental and challenging problem. In this talk, we present first-principles results for the screened Coulomb and exchange interaction between localized $d$ electrons in transition metals and transition metal oxides. The localized $d$ states are represented by maximally localized Wannier functions whereas the dielectric screening is calculated within the constrained random phase approximation.

*This work is partially supported by the Department of Energy under grant No. DE-SC0002623.

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Authors

  • Bi-Ching Shih

    • Department of Physcis, University at Buffalo the State University of New York, Buffalo, New York 14260, USA

  • Peihong Zhang

    • Department of Physcis, University at Buffalo the State University of New York, Buffalo, New York 14260, USA
    • Department of Physics, University at Buffalo, SUNY, Buffalo, New York 14260
    • Department of Physics, University at Buffalo, State University of New York, Buffalo New York 14260, USA
    • Physics Department, University at Buffalo