Heating and cooling in self-consistent many-body simulations
arXiv:2305.01452 · doi:10.1103/PhysRevB.108.155116
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.
arXiv comment11 pages, 9 figures
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