Reuse & Permissions

It is not necessary to obtain permission to reuse this article or its components as it is available under the terms of the Creative Commons Attribution 4.0 International license. This license permits unrestricted use, distribution, and reproduction in any medium, provided attribution to the author(s) and the published article's title, journal citation, and DOI are maintained. Please note that some figures may have been included with permission from other third parties. It is your responsibility to obtain the proper permission from the rights holder directly for these figures.

Export citation

Export citation

Choose format for download:

Download Citation
  • Open Access

Non-unitary time evolution via the Chebyshev expansion method

Áron Holló1,2, Dániel Varjas3,4,5, Cosma Fulga3,4, László Oroszlány1,2, and Viktor Könye3,4,6

Phys. Rev. E 113, 035301 – Published 4 March, 2026

DOI: https://doi.org/10.1103/nbxh-j277

Abstract

The Chebyshev expansion method is a well-established technique for computing the time evolution of quantum states, particularly in Hermitian systems with a bounded spectrum. Here, we show that the applicability of the Chebyshev expansion method extends well beyond this constraint: It remains valid across the entire complex plane and is thus suitable for arbitrary non-Hermitian matrices. We identify numerical rounding errors as the primary source of errors encountered when applying the method outside the conventional spectral bounds, and they are not caused by fundamental limitations. By carefully selecting the spectral radius and the time step, we show how these errors can be effectively suppressed, enabling accurate time evolution calculations in non-Hermitian systems. We derive an analytic upper bound for the rounding error, which serves as a practical guideline for selecting time steps in numerical simulations. As an application, we illustrate the performance of the method by computing the time evolution of wave packets in the Hatano-Nelson model.

View figure in article

Physics Subject Headings (PhySH)

Article Text

References (30)

  1. C. Moler and C. Van Loan, Nineteen dubious ways to compute the exponential of a matrix, twenty-five years later, SIAM Rev. 45, 3 (2003).
  2. G. Moore, Orthogonal polynomial expansions for the matrix exponential, Linear Algebra Appl. 435, 537 (2011).
  3. H. Tal-Ezer and R. Kosloff, An accurate and efficient scheme for propagating the time dependent Schrödinger equation, J. Chem. Phys. 81, 3967 (1984).
  4. R. Kosloff, Propagation methods for quantum molecular dynamics, Annu. Rev. Phys. Chem. 45, 145 (1994).
  5. R. Chen and H. Guo, The Chebyshev propagator for quantum systems, Comput. Phys. Commun. 119, 19 (1999).
  6. A. Weiße, G. Wellein, A. Alvermann, and H. Fehske, The kernel polynomial method, Rev. Mod. Phys. 78, 275 (2006).
  7. A. Weiße and H. Fehske, Chebyshev expansion techniques, in Computational Many-Particle Physics (Springer, Berlin, Heidelberg, 2008), pp. 545–577
  8. H. Wang and D. Huybrechs, Fast and accurate computation of Chebyshev coefficients in the complex plane, IMA J. Numer. Anal. 37, 1150 (2017).
  9. G. Szegő, Orthogonal Polynomials, 4th ed., American Mathematical Society Colloquium Publications, Vol. 23 (American Mathematical Society, Rhode Island, 1975).
  10. J. C. Mason and D. C. Handscomb, Chebyshev Polynomials (Chapman and Hall/CRC, New York, 2002).
  11. Y. Ashida, Z. Gong, and M. Ueda, Non-Hermitian physics, Adv. Phys. 69, 249 (2020).
  12. J. A. Holbrook, Spectral variation of normal matrices, Linear Algebra Appl. 174, 131 (1992).
  13. H. Fehske, J. Schleede, G. Schubert, G. Wellein, V. S. Filinov, and A. R. Bishop, Numerical approaches to time evolution of complex quantum systems, Phys. Lett. A 373, 2182 (2009).
  14. N. Hatano and J. Feinberg, Chebyshev-polynomial expansion of the localization length of Hermitian and non-Hermitian random chains, Phys. Rev. E 94, 063305 (2016).
  15. R. Diogo Soares and M. Schirò, Non-unitary quantum many-body dynamics using the Faber polynomial method, SciPost Phys. 17, 128 (2024).
  16. H. Spring, V. Könye, F. A. Gerritsma, I. C. Fulga, and A. R. Akhmerov, Phase transitions of wave packet dynamics in disordered non-Hermitian systems, SciPost Phys. 16, 120 (2024).
  17. F. Noronha, J. A. S. Lourenço, and T. Macrì, Robust quantum boomerang effect in non-Hermitian systems, Phys. Rev. B 106, 104310 (2022).
  18. G. Ashkenazi, R. Kosloff, S. Ruhman, and H. Tal-Ezer, Newtonian propagation methods applied to the photodissociation dynamics of I3−, J. Chem. Phys. 103, 10005 (1995).
  19. W. Huisinga, L. Pesce, R. Kosloff, and P. Saalfrank, Faber and Newton polynomial integrators for open-system density matrix propagation, J. Chem. Phys. 110, 5538 (1999).
  20. G. Chen, F. Song, and J. L. Lado, Topological spin excitations in non-Hermitian spin chains with a generalized kernel polynomial algorithm, Phys. Rev. Lett. 130, 100401 (2023).
  21. H. Tal-Ezer, R. Kosloff, and I. Schaefer, New, highly accurate propagator for the linear and nonlinear Schrödinger equation, J. Sci. Comput. 53, 211 (2012).
  22. R. D. Costin and M. David, Jacobi series for general parameters and applications, arXiv:1606.02642.
  23. N. J. Munch, A chebyshev theorem for ellipses in the complex plane, Am. Math. Mon. 126, 430 (2019).
  24. R. Kosloff and D. Kosloff, Absorbing boundaries for wave propagation problems, J. Comput. Phys. 63, 363 (1986).
  25. N. Hatano and D. R. Nelson, Localization transitions in non-Hermitian quantum mechanics, Phys. Rev. Lett. 77, 570 (1996).
  26. A. Holló, D. Varjas, C. Fulga, L. Oroszlány, and V. Könye, Non-unitary time evolution via the chebyshev expansion method, Zenodo (2025), doi: 10.5281/zenodo.17296163.
  27. W. J. Cody and W. Waite, Software Manual for the Elementary Functions (Prentice-Hall, Englewood Cliffs, NJ, 1980).
  28. J. H. Wilkinson, Error analysis of floating-point computation, Numer. Math. 2, 319 (1960).
  29. R. M. Gray, Toeplitz and circulant matrices: A review, Found. Trends Commun. Inf. Theory 2, 155 (2006).
  30. S. Noschese, L. Pasquini, and L. Reichel, Tridiagonal Toeplitz matrices: Properties and novel applications, Numer. Linear Algebra Appl. 20, 302 (2013).

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation