Merging GW with DMFT and non-local correlations beyond
1 Institute of Solid State Physics, TU Wien, 1040 Wien, Austria
2 University of Vienna, Faculty of Physics and Center for Computational Materials Science, Sensengasse 8/12, 1090 Vienna, Austria
3 Shenyang National Laboratory for Materials Science, Institute of Metal Research, University of Chinese Academy of Sciences, Shenyang 110016, P.R. China
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Received: 13 February 2017
Revised: 24 March 2017
Published online: 10 July 2017
We review recent developments in electronic structure calculations that go beyond state-of-the-art methods such as density functional theory (DFT) and dynamical mean field theory (DMFT). Specifically, we discuss the following methods: GW as implemented in the Vienna ab initio simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (DΓA). The latter includes the physics of GW, DMFT and non-local correlations beyond, and allows for calculating (quantum) critical exponents. We present results obtained by the three methods with a focus on the benchmark material SrVO3.
© The Author(s) 2017
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