TimeEvolver: A Program for Time Evolution With Improved Error Bound

DOI10.1016/J.CPC.2022.108374MaRDI QIDQ6400606arXivFDO

Authors Marco Michel, Sebastian Zell

Publication date 30 May 2022

Published in arXiv

Full work available at URL https://doi.org/10.1016/J.CPC.2022.108374

Mathematics Subject Classification ID

Numerical analysis (65-XX) Computer science (68-XX)

arXiv classification

cs.NAhep-thmath.NAphysics.comp-phquant-ph

Abstract: We present $TimeEvolver$, a program for computing time evolution in a generic quantum system. It relies on well-known Krylov subspace techniques to tackle the problem of multiplying the exponential of a large sparse matrix $iH$, where $H$ is the Hamiltonian, with an initial vector $v$. The fact that $H$ is Hermitian makes it possible to provide an easily computable bound on the accuracy of the Krylov approximation. Apart from effects of numerical roundoff, the resulting a posteriori error bound is rigorous, which represents a crucial novelty as compared to existing software packages such as $Expokit$ (R. Sidje, ACM Trans. Math. Softw. 24 (1) 1998). On a standard notebook, $TimeEvolver$ allows to compute time evolution with adjustable precision in Hilbert spaces of dimension greater than $10^6$. Additionally, we provide routines for deriving the matrix $H$ from a more abstract representation of the Hamiltonian operator.

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