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arXiv · 1710.06651

The AbinitioD$Γ$A Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory

Anna Galler·Patrik Thunström·Josef Kaufmann·Matthias Pickem·Jan M. Tomczak·Karsten Held
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Abstract

The ab initio extension of the dynamical vertex approximation (D$Γ$A) method allows for realistic materials calculations that include non-local correlations beyond $GW$ and dynamical mean-field theory. Here, we discuss the AbinitioD$Γ$A algorithm, its implementation and usage in detail, and make the program package available to the scientific community.

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Anna Galler, Patrik Thunström, Josef Kaufmann, Matthias Pickem, Jan M. Tomczak, Karsten Held. 2019-09-12. The AbinitioD$Γ$A Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory. https://doi.org/10.1016/j.cpc.2019.07.012

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