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arXiv · 2110.05090

Causal versus local $GW$+EDMFT scheme and application to the triangular-lattice extended Hubbard model

Abstract

Using the triangular-lattice extended Hubbard model as a test system, we compare $GW$+EDMFT results for the recently proposed self-consistency scheme with causal auxiliary fields to those obtained from the standard implementation which identifies the impurity Green's functions with the corresponding local lattice Green's functions. Both for short-ranged and long-ranged interactions we find similar results, but the causal scheme yields slightly stronger correlation effects at half-filling. We use the two implementations of $GW$+EDMFT to compute spectral functions and dynamically screened interactions in the parameter regime relevant for 1$T$-TaS$_2$. We address the question whether or not the sample used in a recent photoemission study [Phys. Rev. Lett. 120, 166401 (2018)] was half-filled or hole-doped.

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BibTeXRIS

Jiyu Chen, Francesco Petocchi, Philipp Werner. 2021-10-11. Causal versus local $GW$+EDMFT scheme and application to the triangular-lattice extended Hubbard model. https://doi.org/10.1103/physrevb.105.085102

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