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February 27, 2003Physical Review Letters381 citationsOpen Access

First-Principles Approach to the Electronic Structure of Strongly Correlated Systems: Combining theGWApproximation and Dynamical Mean-Field Theory

SBSilke BiermannFAF. AryasetiawanAGAntoine Georges

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Abstract

We propose a dynamical mean-field approach for calculating the electronic structure of strongly correlated materials from first principles. The scheme combines the GW method with dynamical mean-field theory, which enables one to treat strong interaction effects. It avoids the conceptual problems inherent to conventional "LDA+DMFT," such as Hubbard interaction parameters and double-counting terms. We apply a simplified version of the approach to the electronic structure of nickel and find encouraging results.

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Biermann et al. (2003) studied this question.

synapsesocial.com/papers/6a08673eafa0a1b8dbddf602https://doi.org/10.1103/physrevlett.90.086402
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