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@ARTICLE{Zhang:910611,
      author       = {Zhang, Xue-Jing and Koch, Erik and Pavarini, Eva},
      title        = {{G}eneral superexchange {H}amiltonians for magnetic and
                      orbital physics in $e\<sub\>g\</sub\>$ and
                      $t\<sub\>2g\</sub\>$ systems},
      journal      = {Physical review / B},
      volume       = {105},
      number       = {11},
      issn         = {1098-0121},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2022-03989},
      pages        = {115104},
      year         = {2022},
      abstract     = {Material-specific super-exchange Hamiltonians are the key
                      to studying spin and orbital physics in strongly correlated
                      materials. Recently, via an irreducible-tensor operator
                      representation, we derived the orbital superexchange
                      Hamiltonian for t<sup>1</sup><sub>2g</sub> perovskites and
                      successfully used it, in combination with many-body
                      approaches, to explain orbital physics in these systems.
                      Here, we generalize our method to e<sup>n</sup><sub>g</sub>
                      and t<sup>n</sup><sub>2g</sub> systems at arbitrary integer
                      filling n, including both spin and orbital interactions. The
                      approach is suitable for numerical implementations based on
                      ab initio hopping parameters and realistic screened Coulomb
                      interactions and allows for a systematic exploration of
                      superexchange energy surfaces in a realistic context.},
      cin          = {IAS-3 / JSC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-3-20090406 / I:(DE-Juel1)JSC-20090406},
      pnm          = {5215 - Towards Quantum and Neuromorphic Computing
                      Functionalities (POF4-521) / 5111 - Domain-Specific
                      Simulation $\&$ Data Life Cycle Labs (SDLs) and Research
                      Groups (POF4-511)},
      pid          = {G:(DE-HGF)POF4-5215 / G:(DE-HGF)POF4-5111},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000766641700003},
      doi          = {10.1103/PhysRevB.105.115104},
      url          = {https://juser.fz-juelich.de/record/910611},
}