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Phys Rev Lett. 2003 Feb 28;90(8):086402. Epub 2003 Feb 27.

First-principles approach to the electronic structure of strongly correlated systems: combining the GW approximation and dynamical mean-field theory.

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  • 1Laboratoire de Physique des Solides, CNRS-UMR 8502, UPS B√Ętiment 510, 91405 Orsay, France.


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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