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arXiv · 1703.08446

Merging GW with DMFT and non-local correlations beyond

J. M. Tomczak·P. Liu·A. Toschi·G. Kresse·K. Held
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Abstract

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 {\it ab initio} simulation package (VASP) with the self energy on the imaginary frequency axis, GW+DMFT, and ab initio dynamical vertex approximation (D$\Gamma$A). 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 SrVO$_3$.

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J. M. Tomczak, P. Liu, A. Toschi, G. Kresse, K. Held. 2017-03-24. Merging GW with DMFT and non-local correlations beyond. https://doi.org/10.1140/epjst%2Fe2017-70053-1

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