Work

Heating and cooling in self-consistent many-body simulations

Year: 2023
Type: article
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.
Language: English
Open Access status: green
OpenAlex ID: W4387502501
FWCI: 0.312
Cites: 76
Cited by: 3
Related to: 10