Note on Derivation of the Exact Double-counting

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چکیده

Most of the double-counting formulas were historically derived by approximating the Hubbard interaction term (defined with the help of matrix elements Eq. 33) by some static approximation, either in the atomic limit, or, in Hartree-Fock limit. Such static approximations were argued to be a good substitute for the LDA treatment of the Hubbard interaction. Hence, the problem arrose, because it is not clear how to solve the Hubbard model (or any lattice model) by LDA, so that the LDA approximation for the Hubbard term could be subtracted from dynamic self-energy, computed by many body method. Here we show that, if Luttinger-Ward functionals for the two approximate methods are written side-by side in the same form, the intersection of the two is evident. In other words, we can either perform the DMFT approximation on the LDA functional, or, the LDA approximation on the DMFT functional, and in both cases we arrive at the same term, which is counted twice. Let’s start with the lowest order term in the interaction, the Hartree term, because it can be explicitely written down. The exact Hartree term takes the form

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تاریخ انتشار 2015