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arXiv:2407.10017 · The Journal of Chemical Physics

Spectral density modulation and universal Markovian closure of fermionic environments

Davide Ferracin, Andrea Smirne, Susana F. Huelga, Martin Bodo Plenio, Dario Tamascelli

Published Nov 5, 2024• 5 citations
arXivHTMLPDF

Abstract

The combination of chain-mapping and tensor-network techniques provides a powerful tool for the numerically exact simulation of open quantum systems interacting with structured environments. However, these methods suffer from a quadratic scaling with the physical simulation time, and therefore, they become challenging in the presence of multiple environments. This is particularly true when fermionic environments, well-known to be highly correlated, are considered. In this work, we first illustrate how a thermo-chemical modulation of the spectral density allows replacing the original fermionic environments with equivalent, but simpler, ones. Moreover, we show how this procedure reduces the number of chains needed to model multiple environments. We then provide a derivation of the fermionic Markovian closure construction, consisting of a small collection of damped fermionic modes undergoing a Lindblad-type dynamics and mimicking a continuum of bath modes. We describe, in particular, how the use of the Markovian closure allows for a polynomial reduction of the time complexity of chain-mapping based algorithms when long-time dynamics are needed.

DOI
10.1063/5.0226723

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The combination of chain-mapping and tensor-network techniques provides a powerful tool for the numerically exact simulation of open quantum systems interacting with structured environments. However, these methods suffer from a quadratic scaling with the physical simulation time, and therefore, they become challenging in the presence of multiple environments. This is particularly true when fermionic environments, well-known to be highly correlated, are considered. In this work, we first illustrate how a thermo-chemical modulation of the spectral density allows replacing the original fermionic environments with equivalent, but simpler, ones. Moreover, we show how this procedure reduces the number of chains needed to model multiple environments. We then provide a derivation of the fermionic Markovian closure construction, consisting of a small collection of damped fermionic modes undergoing a Lindblad-type dynamics and mimicking a continuum of bath modes. We describe, in particular, how the use of the Markovian closure allows for a polynomial reduction of the time complexity of chain-mapping based algorithms when long-time dynamics are needed.
We exploit the properties of chain mapping transformations of bosonic environments to identify a finite collection of modes able to capture the characteristic features, or fingerprint, of the environment. Moreover we show that the countable infinity of residual bath modes can be replaced by a universal Markovian closure, namely, a small collection of damped modes undergoing a Lindblad-type dynamics whose parametrization is independent of the spectral density under consideration. We show that the Markovian closure provides a quadratic speedup with respect to standard chain mapping techniques and makes the memory requirement independent of the simulation time, while preserving all the information on the fingerprint modes. We illustrate the application of the Markovian closure to the computation of linear spectra but also to nonlinear spectral response, a relevant experimentally accessible many body coherence witness for which efficient numerically exact calculations in realistic environments are currently lacking.
We introduce a general numerical method to compute the dynamics and multitime correlations of chains of quantum systems, where each system may couple strongly to a structured environment. The method combines the process tensor formalism for general (possibly non-Markovian) open quantum systems with time-evolving block decimation for one-dimensional chains. It systematically reduces the numerical complexity originating from system-environment correlations before integrating them into the full many-body problem, making a wide range of applications numerically feasible. We illustrate the power of this method by studying two examples. First, we study the thermalization of individual spins of a short XYZ Heisenberg chain with strongly coupled thermal leads. Our results confirm the complete thermalization of the chain when coupled to a single bath, and they reveal distinct effective temperatures in low-, mid-, and high-frequency regimes when the chain is placed between a hot and a cold bath. Second, we study the dynamics of diffusion in a longer XY chain, when each site couples to its own bath.
Abstract We show that an open fermionic system coupled to a continuous environment with unitary system-environment evolution can be exactly mapped onto an auxiliary system consisting of the physical fermion system and a set of discrete fermionic modes subject to non-unitary Lindblad-type system-modes evolution in such a way that reduced dynamics of the fermionic system in the two cases are the same. Conditions for equivalence of reduced dynamics in the two systems are identified and a proof is presented. Our study extends recent work on Bose systems (Tamascelli et al 2018 Phys. Rev. Lett. 120 030402) to the case of open quantum Fermi systems and to multi-time correlation functions. Numerical simulations within a generic junction model are presented for illustration.
Abstract\n We show that an open fermionic system coupled to a continuous environment with unitary system-environment evolution can be exactly mapped onto an auxiliary system consisting of the physical fermion system and a set of discrete fermionic modes subject to non-unitary Lindblad-type system-modes evolution in such a way that reduced dynamics of the fermionic system in the two cases are the same. Conditions for equivalence of reduced dynamics in the two systems are identified and a proof is presented. Our study extends recent work on Bose systems (Tamascelli et al 2018 Phys. Rev. Lett. 120 030402) to the case of open quantum Fermi systems and to multi-time correlation functions. Numerical simulations within a generic junction model are presented for illustration.
The Markovian dynamics of open quantum many-body systems are typically governed by the Lindblad master equation, yet obtaining the reduced density matrix for bosonic and fermionic systems remains a formidable numerical challenge due to the exponential growth of the Hilbert space. Here, we introduce a computationally efficient framework for constructing the reduced density matrix by modeling the environment as a copy of the primary system with a monotonically decaying coupling that enforces unidirectional energy flow. Our method directly yields exact solutions that rigorously satisfy the Lindblad master equation for both bosonic and fermionic cases, bypassing the need for costly Liouvillian diagonalization. We validate our approach through applications to paradigmatic models, demonstrating accurate reproduction of dissipative dynamics across a broad parameter regime. This work provides a straightforward and powerful tool for simulating Markovian open-system evolution, with immediate applicability to quantum transport and control problems in many-body physics.
This chapter gives a self-contained review of the how standard open quantum system Hamiltonians can be mapped analytically onto representations in which the environments appear as one dimensional harmonic chains with nearest neighbour interactions. This mapping, carried out rigorously using orthogonal polynomial theory, then allows the full evolution of the system and environment to be simulated using time-adaptive density matrix renormalisation group methods. With the combination of these two techniques, numerically-exact results can be obtained for dissipative quantum systems in the presence of arbitrarily complex environmental spectral functions, and the correlations and processes in the environment which drive the effectively irreversible dynamics of the reduced state of the quantum system can be explored in real time. The chain representation also reveals a number of universal features of harmonic environments characterised by a spectral density which are discussed here.