Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping

TL;DR

This paper introduces an advanced numerical scheme for solving the full Boltzmann collision operator in quantum materials, utilizing second-degree momentum discretization and adaptive time stepping to improve accuracy, stability, and efficiency.

Contribution

It extends previous Boltzmann solvers to higher order momentum discretization and incorporates adaptive time stepping, enhancing numerical stability and performance in far-from-equilibrium quantum dynamics.

Findings

Achieved higher order convergence in momentum space

Improved numerical stability with adaptive time stepping

Enhanced efficiency of Boltzmann collision operator simulation

Abstract

Study of far-from-equilibrium thermalization dynamics in quantum materials, including the dynamics of different types of quasiparticles, is becoming increasingly crucial. However, the inherent complexity of either the full quantum mechanical treatment or the solution of the scattering integral in the Boltzmann approach, has significantly limited the progress in this domain. In our previous work we had developed a solver to calculate the scattering integral in the Boltzmann equation. The solver is free of any approximation (no linearisation of the scattering operator, no close-to-equilibrium approximation, full non-analytic dispersions, full account of Pauli factors, and no limit to low order scattering) \cite{Michael}. Here we extend it to achieve a higher order momentum space convergence by extending to second degree basis functions.cWe further use an adaptive time stepper, achieving a significant improvement in the numerical performance. Moreover we show adaptive time stepping can prevent intrinsic instabilities in the time propagation of the Boltzmann scattering operator. This work makes the numerical time propagation of the full Boltzmann scattering operator efficient, stable and minimally reliant on human supervision.