Second-order dual fermion for multi-orbital systems

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...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2021-03, Vol.33 (13), p.135601
Main Author: van Loon, Erik G C P
Format: Article
Language:English
Subjects:
dual fermion
spatial correlations
strongly correlated electrons
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Summary: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.
ISSN:0953-8984
1361-648X
DOI:10.1088/1361-648X/abd9ed