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Second-order dual fermion for multi-orbital systems.

Erik G C P van Loon
Published in: Journal of physics. Condensed matter : an Institute of Physics journal (2021)
In dynamical mean-field theory, the correlations between electrons are assumed to be purely local. The dual fermion approach provides a systematic way of adding non-local corrections to the dynamical mean-field theory starting point. Initial applications of this method were largely restricted to the single-orbital Hubbard model. Here, we present an implementation of second-order dual fermion for general multi-orbital systems and use this approach to investigate spatial correlations in SrVO3. In addition, the approach is benchmarked in several exactly solvable small systems.
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