Efficient Magnus-type integrators for solar energy conversion in Hubbard models

TL;DR

This paper develops and compares efficient Magnus-type exponential integrators, combined with operator splittings and adaptive Lanczos methods, for simulating solar energy effects in Hubbard models of strongly interacting electrons.

Contribution

It introduces adaptive Magnus-type integrators with defect-based error control, enhancing simulation efficiency for time-dependent Hubbard models under solar illumination.

Findings

Adaptive integrators improve accuracy and efficiency.

Operator splittings reduce computational cost.

Error estimators enable reliable adaptive time-stepping.

Abstract

Strongly interacting electrons in solids are generically described by Hubbardtype models, and the impact of solar light can be modeled by an additional time-dependence. This yields a finite dimensional system of ordinary differential equations (ODE)s of Schr\"odinger type, which can be solved numerically by exponential time integrators of Magnus type. The efficiency may be enhanced by combining these with operator splittings. We will discuss several different approaches of employing exponential-based methods in conjunction with an adaptive Lanczos method for the evaluation of matrix exponentials and compare their accuracy and efficiency. For each integrator, we use defect-based local error estimators to enable adaptive time-stepping. This serves to reliably control the approximation error and reduce the computational effort