Uniform process tensor approach for the calculation of multi-time correlation functions of non-Markovian open systems

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Abstract

The process tensor framework to open quantum systems provides the most general description of multi-time correlations in non-Markovian quantum dynamics. A compressed representation of a process tensor in terms of matrix product operators (MPO) can be used for numerically exact calculations of multi-time correlation functions in systems strongly coupled to a non-Markovian reservoir. We show here that the numerical effort for computing multi-dimensional spectra can be significantly improved using a time-translation invariant MPO representation of the process tensor obtained from the uniform time-evolving matrix product operator (uniTEMPO) method. In particular, this approach provides a spectral representation of the non-Markovian dynamics that gives direct access to correlation functions in Fourier-space, avoiding explicit real-time evolution. We calculate linear and 2D electronic spectra for an example system and discuss the performance and numerical scaling of our simulations.

Details

Original languageEnglish
Article number184104
Number of pages11
JournalJournal of Chemical Physics
Volume164
Issue number18
Publication statusPublished - 11 May 2026
Peer-reviewedYes

External IDs

PubMed 42112859
ORCID /0000-0002-1520-7931/work/215834459
ORCID /0000-0002-7806-3525/work/215835221