First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT

Details First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT

2002-07-17

arxiv.org/abs/cond-mat/0207419v2

Phys. Rev. Lett. 90, 086402 (2003)

Physics

Condensed Matter

Strongly Correlated Electrons

5 pages, 2 figures, more detailed version

Scientific paper

10.1103/PhysRevLett.90.086402

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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