Merging GW with DMFT and non-local correlations beyond

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${}_3$.

arXiv commenttutorial review submitted to EPJ-ST (scientific report of research unit FOR 1346); 11 figures 27 pages

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• Extending Density Matrix Embedding: A Static Two-Particle Theory
• The AbinitioD$\Gamma$A Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory
• Orbital Selective Mott Transition Effects and Non-Trivial Topology of Iron Chalcogenide
• Strongly correlated superconductivity with long-range spatial fluctuations
• Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
• Can $GW$ Handle Multireference Systems?
• Isoelectronic tuning of heavy fermion systems: Proposal to synthesize Ce3Sb4Pd3
• Controlling T${}_c$ through band structure and correlation engineering in collapsed and uncollapsed phases of iron arsenides
• Quantification of Coulomb Interactions in layered Lithium and Sodium Battery Cathode Materials
• Nonlocal corrections to dynamical mean-field theory from the two-particle self-consistent method
• Coulomb Engineering of two-dimensional Mott materials
• Interplay between band structure and Hund's correlation to increase T${}_c$ in FeSe
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• Interacting-bath dynamical embedding for capturing non-local electron correlation in solids
• Metal-insulator transition in copper oxides induced by apex displacements
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• Electronic correlations in dense iron: from moderate pressure to Earth's core conditions
• Braiding of edge states in narrow zigzag graphene nanoribbons: effect of the third neighbors hopping
• Electronic correlations and long-range magnetic ordering in NiO tuned by pressure
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• Correlation-driven phonon renormalisation and the equation of state of $\gamma$-cerium
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