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Heating and cooling in self-consistent many-body simulations

2023/05/02 by Yu, Yang, Iskakov, Sergei, Gull, Emanuel · 1 citation
#FOS: Physical sciences #Strongly Correlated Electrons (cond-mat.str-el)

paper · doi:10.48550/arxiv.2305.01452

Abstract

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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