Markovian open quantum systems are well modeled by the Lindblad Master Equation (ME)
dtdρt=Lρt, where
L is a linear (super-)operator and
ρt is the system state, a positive matrix. When designing or characterizing a quantum system, one is usually interested in the steady state
ρ∞ (such that
Lρ∞=0), the first few excited states, and trajectories
t↦ρt. In finite dimension,
ρt is an
n×n matrix,
L thus typically costs
n4 to store explicitly as a dense matrix, and
O(n6) to diagonalize or invert exactly, making standard linear algebraic techniques expensive for large systems. However,
L usually costs only
O(n3) to apply. This makes iterative methods appealing, but they do not work without a good preconditioner. In this article, our main observation is that a part of the Lindblad equation, corresponding to the so-called no-jump evolution
S, can be inverted efficiently. Using this inverse map, we introduce an auxiliary completely positive trace-preserving (CPTP) map
Φ whose fixed point is directly related to
ρ∞, all the other eigenvalues having smaller magnitude. The map
Φ is thus well suited to iterative methods, and
ρ∞ can be found in a few Arnoldi iterations. Using the same inverse map
S−1 as preconditioner, we compute the low-lying spectrum efficiently via shift-invert Arnoldi, and, as a proof of concept, build an implicit time integrator that is competitive on stiff systems in the low-precision regime. For the steady-state and low excited states problems, our methods scale like
O(n3) per iteration and offer state-of-the-art performance on CPU and GPU.
Determining the steady state of an open quantum system is crucial for characterizing quantum devices and studying various physical phenomena. Often, computing a single steady state is insufficient, and it is necessary to explore its dependence on multiple external parameters. In such cases, calculating the steady state independently for each combination of parameters quickly becomes intractable. Perturbation theory (PT) can mitigate this challenge by expanding steady states around reference parameters, minimizing redundant computations across neighboring parameter values. However, PT has two significant limitations: it relies on the pseudo-inverse – a numerically costly operation – and has a limited radius of convergence. In this work, we remove both of these roadblocks. First, we introduce a variational perturbation theory (VPT) and its multipoint generalization that significantly extends the radius of convergence even in the presence of non-analytic effects such as dissipative phase transitions. Then, we develop two numerical strategies that eliminate the need to compute pseudo-inverses. The first relies on a single LU decomposition to efficiently construct the steady state within the convergence region, while the second reformulates VPT as a Krylov space recycling problem and uses preconditioned iterative methods. We benchmark these approaches across various models, demonstrating their broad applicability and significant improvements over standard PT.
Making new methods for quantum problems often relies on using basic operations in linear algebra. Often these routines are hidden behind well-known libraries that have been optimized over decades. Attempting to improve on those basic routines would be highly time-consuming. We aim in this article to review those basic routines and provide a knowledge foundation for how to perform basic operations on a computer that would be inaccessible with pen and paper. Elementary details on the solutions to linear algebra problems and computational complexity are reviewed. The focus is on solving eigenvalue problems for quantum systems, but the discussion is generic to many other applications. Common matrix forms relevant to quantum systems and their solution strategies are covered. The discussion extends to computational numerical methods for which the most efficient functions exist in freely available libraries. These include eigenvalue, Schur, QR, LU, LDL, Cholesky, and singular value decompositions. The algorithms for obtaining some of these decompositions are discussed, with focus being placed on those used in modern libraries.
Symmetries in an open quantum system lead to degenerated Liouvillians that physically imply the existence of multiple steady states. In such cases, obtaining the initial condition independent steady states is highly nontrivial since any linear combination of the true asymptotic states, which may not necessarily be a density matrix, is also a valid asymptote for the Liouvillian. Thus, in this work, we consider different approaches to obtain the true steady states of a degenerated Liouvillian. In the ideal scenario, when the open system symmetry operators are known, we show how these can be used to obtain the invariant subspaces of the Liouvillian and hence the steady states. We then discuss two other approaches that do not require any knowledge of the symmetry operators. These could be powerful numerical tools to deal with quantum many-body complex open systems. The first approach that is based on Gram-Schmidt orthonormalization of density matrices allows us to obtain all the steady states, whereas the second one based on large deviations allows us to obtain the non-degenerated maximum and minimum current carrying states. We discuss the symmetry-decomposition and the orthonormalization methods with the help of an open para-benzene ring and examine interesting scenarios such as the dynamical restoration of Hamiltonian symmetries in the long-time limit and apply the method to study the eigenspacing statistics of the nonequilibrium steady state.
In this thesis a formalism for indistinguishable multi-level quantum emitters in quantum master equations is developed. The complexity of the approach scales only polynomially in the number of quantum emitters. Complexity here means the number of coupled equations or rather the dimension of the Liouville space. This approach opens new possibilities for calculating open quantum systems. The method is implemented in the PsiQuaSP library, which allows to setup and solve arbitrary master equations, in particular master equations with the reduced polyno-mial scaling. The introduced tools are utilized to study subradiance in the open Dicke model and various cQED lasers. One of the main current research goals in quantum optics and quantum information science is the generation and stabilization of quantum coherence between distinct quantum systems. These systems can for instance be photons or quantum emitters, qubits. From a theoretical stance the difficulty with these systems is that their complexity scales in general exponentially with the system size, like the number of quantum emitters. The reduced scaling of the formalism introduced in this thesis stems from the permutation symmetry of the indistinguishable emitters. The method is derived in the context of Lindblad quantum master equations. Lindblad quantum master equations for many identical multi-level systems have been used to study funda- mental quantum optical systems, such as lasing and laser like action, various phase transitions, optical bistability, cooperative resonance fluorescence, entanglement, quantum light generation, quantum to classical transitions, super- and subradiance etc. In most of these cases the single emitter, the many emitter and the weak correlation limit can be satisfactorily treated with existing techniques, such as direct integration, phase space methods or cluster expansion. However these techniques are not well suited for the few emitter case with strong correlations. The theory developed in this thesis allows to study all these systems for moderate numbers of quantum emitters and arbitrary correlation strengths, thus filling the gap left open by conventional methods. Even though the theory is developed around Lindblad quantum master equations it is not limited to this case – the requirement of indistinguishability is used to construct symmetrized Liouville space basis states and operators which can also be used to construct other master equations. In this thesis the general methodology for the polynomial scaling of the many emitter master equation is derived by two different approaches. Generalized permutation symmetric Liouville space states and operators are introduced that allow for the construction of arbitrary master equations and observables. These Liouville space states and operators are translated into a graphical representation that greatly facilitates their usage. This representation is found to have a close connection to Lie algebras as well as graph theory. The whole method is implemented in a general and modular way in a C++ library called PsiQuaSP, which allows to simulate arbitrary master equations based on a number state representation. The design of the library heavily relies on the introduced graphical representation, which greatly facilitates the setup of a simulation. The treatment of non-identical systems with PsiQuaSP is illustrated and further techniques for complexity reduction and computational speedup are discussed. These tools are applied to the two main cases of cQED lasers/spasers and super-, subradiance. In the latter case a new type of phase transition in the open Dicke model is predicted that leads to a deterministic generation of subradiant steady state coherences, with applications in quantum information science. Furthermore the interaction of quantum dots with the dissipative modes at metal interfaces is investigated in order to explain experimental findings.
The characterization of open quantum systems is a central and recurring problem for the development of quantum technologies. For time-independent systems, an (often unique) steady state describes the average physics once all the transient processes have faded out, but interesting quantum properties can emerge at intermediate timescales. Given a Lindblad master equation, these properties are encoded in the spectrum of the Liouvillian whose diagonalization, however, is a challenge even for small-size quantum systems. Here, we propose a new method to efficiently provide the Liouvillian spectral decomposition. We call this method an Arnoldi-Lindblad time evolution, because it exploits the algebraic properties of the Liouvillian superoperator to efficiently construct a basis for the Arnoldi iteration problem. The advantage of our method is double: (i) It provides a faster-than-the-clock method to efficiently obtain the steady state, meaning that it produces the steady state through time evolution shorter than needed for the system to reach stationarity. (ii) It retrieves the low-lying spectral properties of the Liouvillian with a minimal overhead, allowing to determine both which quantum properties emerge and for how long they can be observed in a system. This method is general and model-independent , and lends itself to the study of large systems where the determination of the Liouvillian spectrum can be numerically demanding but the time evolution of the density matrix is still doable. Our results can be extended to time evolution with a time-dependent Liouvillian. In particular, our method works for Floquet (i.e., periodically driven) systems, where it allows not only to construct the Floquet map for the slow-decaying processes, but also to retrieve the stroboscopic steady state and the eigenspectrum of the Floquet map. Although the method can be applied to any Lindbladian evolution (spin, fermions, bosons, …), for the sake of simplicity we demonstrate the efficiency of our method on several examples of coupled bosonic resonators (as a particular example). Our method outperforms other diagonalization techniques and retrieves the Liouvillian low-lying spectrum even for system sizes for which it would be impossible to perform exact diagonalization.