Site-occupation embedding theory using Bethe ansatz local density approximations

2018 
Site-occupation embedding theory is a significantly improved formulation of density-functional theory (DFT) for model Hamiltonians where the fully-interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting (rather than non-interacting) one. It provides a rigorous framework for combining wavefunction- or Green function-based methods with DFT. Exact properties of the embedding functional are discussed as well as the construction of density-functional approximations based on the Bethe ansatz solutions to both Hubbard and Anderson models.
    • Correction
    • Source
    • Cite
    • Save
    • Machine Reading By IdeaReader
    83
    References
    19
    Citations
    NaN
    KQI
    []