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

Winfried Auzinger, Juliette Dubois, Karsten Held, Harald Hofstätter, Tobias Jawecki, Anna Kauch, Othmar Koch, Karolina Kropielnicka, Pranav Singh, Clemens Watzenböck

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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
Original languageEnglish
Article number100018
JournalJournal of Computational Mathematics and Data Science
Early online date14 Dec 2021
Publication statusPublished - 31 Jan 2022


  • math.NA
  • cs.NA
  • 65L05, 65L50, 81-08


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