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Heating and cooling in self-consistent many-body simulations

Authors :
Yu, Yang
Iskakov, Sergei
Gull, Emanuel
Publication Year :
2023

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 Carath\'eodory 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.<br />Comment: 11 pages, 9 figures

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2305.01452
Document Type :
Working Paper
Full Text :
https://doi.org/10.1103/PhysRevB.108.155116