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Creators/Authors contains: "Iskakov, Sergei"

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  1. ; ; ; ; (, Physical Review B)
  2. ; ; ; (, Computer Physics Communications)
    Free, publicly-accessible full text available November 1, 2025
  3. ; ; ; ; ; ; ; ; ; ; et al (, Computer Physics Communications)
    The accurate ab-initio simulation of molecules and periodic solids with diagrammatic perturbation theory is an important task in quantum chemistry, condensed matter physics, and materials science. In this article, we present the WeakCoupling module of the open-source software package Green, which implements fully self-consistent diagrammatic weak coupling simulations, capable of dealing with real materials in the finite-temperature formalism. The code is licensed under the permissive MIT license. We provide self-consistent GW (scGW) and self-consistent second-order Green's function perturbation theory (GF2) solvers, analysis tools, and post-processing methods. This paper summarizes the theoretical methods implemented and provides background, tutorials and practical instructions for running simulations. 
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    Free, publicly-accessible full text available January 1, 2026
  4. ; ; ; (, Mendeley Data)
    We present the TRIQS/Nevanlinna analytic continuation package, an efficient implementation of the methods proposed by J. Fei et al. (2021) [53] and (2021) [55]. TRIQS/Nevanlinna strives to provide a high quality open source (distributed under the GNU General Public License version 3) alternative to the more widely adopted Maximum Entropy based analytic continuation programs. With the additional Hardy functions optimization procedure, it allows for an accurate resolution of wide band and sharp features in the spectral function. Those problems can be formulated in terms of imaginary time or Matsubara frequency response functions. The application is based on the TRIQS C++/Python framework, which allows for easy interoperability with other TRIQS-based applications, electronic band structure codes and visualization tools. Similar to other TRIQS packages, it comes with a convenient Python interface. 
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  5. ; ; ; ; (, Physical Review Letters)
  6. ; ; (, Physical Review B)
    We present a temperature-extrapolation technique for self-consistent many-body methods, which provides a causal starting point for converging to a solution at a target temperature. The technique employs the Carathéodory formalism for interpolating causal matrix-valued functions and is applicable to various many-body methods, including dynamical mean-field theory, its cluster extensions, and self-consistent perturbative methods such as the self-consistent GW approximation. We show results that demonstrate that this technique can efficiently simulate heating and cooling hysteresis at a first-order phase transition, as well as accelerate convergence. 
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  7. ; ; ; (, Physical Review B)
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  8. ; ; (, Physical Review B)
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  9. ; ; ; (, Physical Review B)
    Full Text Available