Second-order dual fermion for multi-orbital systems

Abstract

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 SrVO${}_3$. In addition, the approach is benchmarked in several exactly solvable small systems.

Example scripts are included in the arxiv source

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