First-principles approach to the electronic structure of strongly correlated systems: combining the GW approximation and dynamical mean-field theory.
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.
Biermann
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S
Laboratoire de Physique des Solides, CNRS-UMR 8502, UPS Bâtiment 510, 91405 Orsay, France.
Aryasetiawan
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F
Georges
A
A