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arxiv: 1703.08446 · v1 · pith:63SYTZXGnew · submitted 2017-03-24 · ❄️ cond-mat.str-el · cond-mat.mtrl-sci

Merging GW with DMFT and non-local correlations beyond

classification ❄️ cond-mat.str-el cond-mat.mtrl-sci
keywords dmftbeyondmethodscorrelationsdynamicalinitionon-localtheory
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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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