Stability and complexity of global iterative solvers for the Kadanoff-Baym equations

Fuente: arXiv
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Main Authors: Gašperlin, Jože, Golež, Denis, Kaye, Jason
Format: Preprint
Published: 2025
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author Gašperlin, Jože
Golež, Denis
Kaye, Jason
author_facet Gašperlin, Jože
Golež, Denis
Kaye, Jason
contents Although the Kadanoff-Baym equations are typically solved using time-stepping methods, iterative global-in-time solvers offer potential algorithmic advantages, particularly when combined with compressed representations of two-time objects. We examine the computational complexity and stability of several global-in-time iterative methods, including multiple variants of fixed point iteration, Jacobian-free methods, and a Newton-Krylov method using automatic differentiation. We consider the ramped and periodically-driven Falicov-Kimball and Hubbard models within time-dependent dynamical mean-field theory. Although we observe that several iterative methods yield stable convergence at large propagation times, a standard forward fixed point iteration does not. We find that the number of iterations required to converge to a given accuracy with a fixed time step size scales roughly linearly with the number of time steps. This scaling is associated with the formation of a propagating front in the residual error, whose velocity is method-dependent. We identify key challenges which must be addressed in order to make global solvers competitive with time-stepping methods.
format Preprint
id arxiv_https___arxiv_org_abs_2512_11371
institution arXiv
publishDate 2025
record_format arxiv
spellingShingle Stability and complexity of global iterative solvers for the Kadanoff-Baym equations
Gašperlin, Jože
Golež, Denis
Kaye, Jason
Strongly Correlated Electrons
Although the Kadanoff-Baym equations are typically solved using time-stepping methods, iterative global-in-time solvers offer potential algorithmic advantages, particularly when combined with compressed representations of two-time objects. We examine the computational complexity and stability of several global-in-time iterative methods, including multiple variants of fixed point iteration, Jacobian-free methods, and a Newton-Krylov method using automatic differentiation. We consider the ramped and periodically-driven Falicov-Kimball and Hubbard models within time-dependent dynamical mean-field theory. Although we observe that several iterative methods yield stable convergence at large propagation times, a standard forward fixed point iteration does not. We find that the number of iterations required to converge to a given accuracy with a fixed time step size scales roughly linearly with the number of time steps. This scaling is associated with the formation of a propagating front in the residual error, whose velocity is method-dependent. We identify key challenges which must be addressed in order to make global solvers competitive with time-stepping methods.
title Stability and complexity of global iterative solvers for the Kadanoff-Baym equations
topic Strongly Correlated Electrons
url https://arxiv.org/abs/2512.11371