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arXiv:2410.00353

Bringing multilevel quantum master equations into Lindblad form for complete positivity tests: Two approaches

Timur V. Tscherbul

Published Oct 1, 2024• 0 citations
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Abstract

While quantum master equations (QMEs) are the primary workhorse in quantum information science, quantum optics, spectroscopy, and quantum thermodynamics, bringing an arbitrary $N$-level QME into Lindbladian form and verifying complete positivity of the associated quantum dynamical map remain open challenges for $N\ge 3$. We explore and implement two independent methods to accomplish these tasks, which enable one to directly compute the Kossakowski matrix of an arbitrary Markovian QME from its Liouvillian. In the first method, due to Hall, Cresser, Li, and Andersson, the Kossakowski matrix elements are obtained by evaluating the action of the Liouvillian on the orthonormal SU($N$) basis matrices and then computing a sum of matrix-product traces. The second method, developed in this work, is based on the real $N$-level coherence vector and relies on the Moore-Penrose pseudo-inverse of a rectangular matrix composed of the structure constants of SU$(N)$. We show that both methods give identical results, and apply them to establish the complete positivity of the partial secular Bloch-Redfield QME for the $Λ$ and V-systems driven by incoherent light. We find that the eigenvalues of the Kossakowski matrix of these seemingly different three-level systems are identical, implying close similarities of their dissipative dynamics. By facilitating the expression of multilevel Markovian QMEs in Lindblad form, our results enable testing the QMEs for complete positivity without solving them, as well as restoring complete positivity by keeping only non-negative eigenvalues of the Kossakowski matrix.

DOI
10.48550/arxiv.2410.00353

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While quantum master equations (QMEs) are the primary workhorse in quantum information science, quantum optics, spectroscopy, and quantum thermodynamics, bringing an arbitrary NNN-level QME into Lindbladian form and verifying complete positivity of the associated quantum dynamical map remain open challenges for N≥3N\ge 3N≥3. We explore and implement two independent methods to accomplish these tasks, which enable one to directly compute the Kossakowski matrix of an arbitrary Markovian QME from its Liouvillian. In the first method, due to Hall, Cresser, Li, and Andersson, the Kossakowski matrix elements are obtained by evaluating the action of the Liouvillian on the orthonormal SU(NNN) basis matrices and then computing a sum of matrix-product traces. The second method, developed in this work, is based on the real NNN-level coherence vector and relies on the Moore-Penrose pseudo-inverse of a rectangular matrix composed of the structure constants of SU(N)(N)(N). We show that both methods give identical results, and apply them to establish the complete positivity of the partial secular Bloch-Redfield QME for the ΛΛΛ and V-systems driven by incoherent light. We find that the eigenvalues of the Kossakowski matrix of these seemingly different three-level systems are identical, implying close similarities of their dissipative dynamics. By facilitating the expression of multilevel Markovian QMEs in Lindblad form, our results enable testing the QMEs for complete positivity without solving them, as well as restoring complete positivity by keeping only non-negative eigenvalues of the Kossakowski matrix.
The Lindblad form guarantees complete positivity of a Markovian quantum master equation (QME). However, its microscopic derivation for a quantum system weakly interacting with a thermal bath requires several approximations, which may result in inaccuracies in the QME. Recently, various Lindbladian QMEs were derived without resorting to the secular approximation from the Redfield equation which does not guarantee the complete positivity. Here we explicitly calculate, in a perturbative manner, the equilibrium steady states of these Lindbladian QMEs. We compare the results with the steady state of the Redfield equation obtained from an analytic continuation method, which coincides with the so-called mean force Gibbs (MFG) state. The MFG state is obtained by integrating out the bath degrees of freedom for the Gibbs state of the total Hamiltonian. We explicitly show that the steady states of the Lindbladian QMEs are different from the MFG state. Our results indicate that manipulations of the Redfield equation needed to enforce complete positivity of a QME drives its steady state away from the MFG state. We also find that, in the high-temperature regime, both the steady states of the Lindbladian QMEs and MFG state reduce to the same Gibbs state of a system Hamiltonian under certain conditions.
Completely positive, trace preserving (CPT) maps and Lindblad master equations are both widely used to describe the dynamics of open quantum systems. The connection between these two descriptions is a classic topic in mathematical physics. One direction was solved by the now famous result due to Lindblad, Kossakowski Gorini and Sudarshan, who gave a complete characterisation of the master equations that generate completely positive semi-groups. However, the other direction has remained open: given a CPT map, is there a Lindblad master equation that generates it (and if so, can we find it's form)? This is sometimes known as the Markovianity problem. Physically, it is asking how one can deduce underlying physical processes from experimental observations. We give a complexity theoretic answer to this problem: it is NP-hard. We also give an explicit algorithm that reduces the problem to integer semi-definite programming, a well-known NP problem. Together, these results imply that resolving the question of which CPT maps can be generated by master equations is tantamount to solving P=NP: any efficiently computable criterion for Markovianity would imply P=NP; whereas a proof that P=NP would imply that our algorithm already gives an efficiently computable criterion. Thus, unless P does equal NP, there cannot exist any simple criterion for determining when a CPT map has a master equation description. However, we also show that if the system dimension is fixed (relevant for current quantum process tomography experiments), then our algorithm scales efficiently in the required precision, allowing an underlying Lindblad master equation to be determined efficiently from even a single snapshot in this case. Our work also leads to similar complexity-theoretic answers to a related long-standing open problem in probability theory.
We investigate the possibility of a Markovian quantum master equation (QME) that consistently describes a finite-dimensional system, a part of which is weakly coupled to a thermal bath. To preserve complete positivity and trace, such a QME must be of Lindblad form. For physical consistency, it should additionally preserve local conservation laws and be able to show thermalization. We search for Lindblad equations satisfying these additional criteria. First, we show that the microscopically derived Bloch-Redfield equation violates complete positivity unless in extremely special cases. We then prove that imposing complete positivity and demanding preservation of local conservation laws enforces the Lindblad operators and the lamb-shift Hamiltonian to be local, i.e., to be supported only on the part of the system directly coupled to the bath. We then cast the problem of finding local Lindblad QMEs which can show thermalization into a semidefinite program. We call this the thermalization optimization problem (TOP). For given system parameters and temperature, the solution of the TOP conclusively shows whether the desired type of QME is possible up to a given precision. Whenever possible, it also outputs a form for such a QME. For an XXZ chain of a few qubits, fixing a reasonably high precision, we find that such a QME is impossible over a considerably wide parameter regime when only the first qubit is coupled to the bath. Remarkably, we find that when the first two qubits are attached to the bath, such a QME becomes possible over much of the same parameter regime, including a wide range of temperatures.
We develop a Markovian master equation in the Lindblad form that enables the efficient study of a wide range of open quantum many-body systems that would be inaccessible with existing methods. The validity of the master equation is based entirely on properties of the bath and the system-bath coupling, without any requirements on the level structure within the system itself. The master equation is derived using a Markov approximation that is distinct from that used in earlier approaches. We provide a rigorous bound for the error induced by this Markov approximation; the error is controlled by a dimensionless combination of intrinsic correlation and relaxation timescales of the bath. Our master equation is accurate on the same level of approximation as the Bloch-Redfield equation. In contrast to the Bloch-Redfield approach, our approach ensures preservation of the positivity of the density matrix. As a result, our method is robust, and can be solved efficiently using stochastic evolution of pure states (rather than density matrices). We discuss how our method can be applied to static or driven quantum many-body systems, and illustrate its power through numerical simulation of a spin chain that would be challenging to treat by existing methods.
Abstract Realistic models of quantum systems must include dissipative interactions with a thermal environment. For weakly-damped systems, while the Lindblad-form Markovian master equation is invaluable for this task, it applies only when the frequencies of any subset of the system’s transitions are degenerate, or their differences are much greater than the transitions’ linewidths. Outside of these regimes the only available efficient description has been the Bloch–Redfield master equation, the efficacy of which has long been controversial due to its failure to guarantee the positivity of the density matrix. The ability to efficiently simulate weakly-damped systems across all regimes is becoming increasingly important, especially in quantum technologies. Here we solve this long-standing problem by deriving a Lindblad-form master equation for weakly-damped systems that is accurate for all regimes. We further show that when this master equation breaks down, so do all time-independent Markovian equations, including the B-R equation. We thus obtain a replacement for the B-R equation for thermal damping that is no less accurate, simpler in structure, completely positive, allows simulation by efficient quantum trajectory methods, and unifies the previous Lindblad master equations. We also show via exact simulations that the new master equation can describe systems in which slowly-varying transition frequencies cross each other during the evolution. System identification tools, developed in systems engineering, play an important role in our analysis. We expect these tools to prove useful in other areas of physics involving complex systems.
Abstract In this paper, we derive the Lindblad and Redfield forms of the master equation based on the Born–Markov master equation with and without the secular approximation for open multi-level quantum systems. The coefficients of the equations are re-evaluated according to the scheme in [(2019), Phys. Rev. A 99 , 022118]. They are complex numbers rather than the real numbers obtained from traditional simplified methods. The dynamics of two models (one is an open three-level quantum system model, and the other is the model of phycoerythrin 545 (PE545) in a photosynthesis system) are studied. It is shown that the secular approximation and the simplified real coefficients may cause a small distortion of the dynamics in some environments, but a large distortion of the dynamics in others. These effects are discussed and characterized by studying the dynamics of nontrivial instances of multi-level systems in the presence of dissipation.