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arXiv:2406.05030 · The Journal of Chemical Physics

Tutorial on the stochastic simulation of dissipative quantum oscillators

C. R. Hogg, Jonas Glatthard, Federico Cerisola, Janet Anders

Published Aug 21, 2024• 7 citations
arXivHTMLPDF

Abstract

Generic open quantum systems are notoriously difficult to simulate unless one looks at specific regimes. In contrast, classical dissipative systems can often be effectively described by stochastic processes, which are generally less computationally expensive. Here, we use the paradigmatic case of a dissipative quantum oscillator to give a pedagogic introduction to the modeling of open quantum systems using quasiclassical methods, i.e., classical stochastic methods that use a "quantum" noise spectrum to capture the influence of the environment on the system. Such quasiclassical methods have the potential to offer insights into the impact of the quantum nature of the environment on the dynamics of the system of interest while still being computationally tractable.

DOI
10.1063/5.0222528

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Generic open quantum systems are notoriously difficult to simulate unless one looks at specific regimes. In contrast, classical dissipative systems can often be effectively described by stochastic processes, which are generally less computationally expensive. Here, we use the paradigmatic case of a dissipative quantum oscillator to give a pedagogic introduction to the modeling of open quantum systems using quasiclassical methods, i.e., classical stochastic methods that use a "quantum" noise spectrum to capture the influence of the environment on the system. Such quasiclassical methods have the potential to offer insights into the impact of the quantum nature of the environment on the dynamics of the system of interest while still being computationally tractable.
Generic open quantum systems are notoriously difficult to simulate unless one looks at specific regimes. In contrast, classical dissipative systems can often be effectively described by stochastic processes, which are generally less computationally expensive. Here, we use the paradigmatic case of a dissipative quantum oscillator to give a pedagogic introduction into the modelling of open quantum systems using quasiclassical methods, i.e. classical stochastic methods that use a ‘quantum’ noise spectrum to capture the influence of the environment on the system. Such quasiclassical methods have the potential to offer insights into the impact of the quantum nature of the environment on the dynamics of the system of interest whilst still being computationally tractable.
All systems are open to an essentially uncontrollable environment that acts as a source of decoherence and dissipation. In some cases the environment's only effect is to add a weak relaxation mechanism and thus can be ignored for short timescales. In others, however, the presence of the environment can fundamentally alter the behavior of the system. Such is the case in mesoscopic superconductors where the environment can stabilize superconductivity and in spin-boson systems where the environment induces a localization transition. Likewise, in technological applications we are often interested in systems operating far from equilibrium. Here the environment might act as a particle reservoir or strong driving force. In all these examples, we need accurate methods to describe the influence of the environment on the system and to solve for the resulting dynamics or equilibrium states. In this thesis, we develop computational and conceptual approaches to efficiently simulate quantum systems in contact with an environment. Our starting point is the use of numerical renormalization techniques. Thus, we restrict our attention to one-dimensional lattices or small quantum systems coupled to an environment. We have developed several complementary algorithms: a superoperator renormalization algorithm for simulating real-time Markovian dynamics and for calculating states in thermal equilibrium; a blocking algorithm for simulating integro-differential equations with long-time memory; and a tensor network algorithm for branched lattices, which can be used to simulate strongly dissipative systems. Further, we provide support for an idea that to generically and accurately simulate the real-time dynamics of strongly dissipative systems, one has to include all or part of the environment within the simulation. In addition, we discuss applications and open questions.
The exact dynamics of a system coupled to an environment can be described by an integro-differential stochastic equation for the reduced density. The influence of the environment is incorporated through a mean field which is both stochastic and nonlocal in time and where the standard two-time correlation functions of the environment appear naturally. Since no approximation is made, the presented theory incorporates exactly dissipative and non-Markovian effects. Applications to the spin-boson model coupled to a heat bath with various coupling regimes and temperature show that the presented stochastic theory can be a valuable tool to simulate exactly the dynamics of open quantum systems. Links with the stochastic Schrödinger equation method and possible extensions to "imaginary time" propagation are discussed.
In this chapter we introduce the basic concept of a quantum harmonic oscillator, and how such oscillators couple to their environment. Our purpose is not to exhaustively cover all aspects of such systems, but rather to provide the foundation material required to treat the quantum mechanics of mechanical resonators and optical cavities – and their interactions – in later chapters. The quantum fluctuation-dissipation theorem is derived relating the power spectral density of environmental forcing of an oscillator to the rate of energy decay from the oscillator into the environment. This is in direct analogy to the familiar fluctuation-dissipation theorem in classical physics. However, in contrast to the classical case, the noncommutation of position and momentum introduces an asymmetry between the positive and negative frequency components of the power spectrum. This provides a natural definition for the effective temperature of the oscillator. The quantum Langevin approach is introduced as a method to model the open dynamics of quantum systems, both with and without recourse to the rotating wave approximation.
Abstract This chapter describes the basic features of open quantum systems, i.e. quantum systems that are affected by noise due to uncontrollable degrees of freedom of an environment or bath. This noise is responsible for effects such as dissipation,decoherence and irreversibility. We study the equilibrium states of open quantum systems and review tools from quantum measurement theory, which describe how to theory, that describe how to extract information from an (open) quantum system. We generalize these tools to multimulti-time statistics and define the notion of a quantum stochastic process and a quan tum Markov process. Finally, we study in which cases a quantum stochastic process looks classical.
Classical Brownian motion has well been investigated since the pioneering work of Einstein, which inspired mathematicians to lay the theoretical foundation of stochastic processes. A stochastic formulation for quantum dynamics of dissipative systems described by the system-plus-bath model has been developed and found many applications in chemical dynamics, spectroscopy, quantum transport, and other fields. This article provides a tutorial review of the stochastic formulation for quantum dissipative dynamics. The key idea is to decouple the interaction between the system and the bath by virtue of the Hubbard-Stratonovich transformation or Itô calculus so that the system and the bath are not directly entangled during evolution, rather they are correlated due to the complex white noises introduced. The influence of the bath on the system is thereby defined by an induced stochastic field, which leads to the stochastic Liouville equation for the system. The exact reduced density matrix can be calculated as the stochastic average in the presence of bath-induced fields. In general, the plain implementation of the stochastic formulation is only useful for short-time dynamics, but not efficient for long-time dynamics as the statistical errors go very fast. For linear and other specific systems, the stochastic Liouville equation is a good starting point to derive the master equation. For general systems with decomposable bath-induced processes, the hierarchical approach in the form of a set of deterministic equations of motion is derived based on the stochastic formulation and provides an effective means for simulating the dissipative dynamics. A combination of the stochastic simulation and the hierarchical approach is suggested to solve the zero-temperature dynamics of the spin-boson model. This scheme correctly describes the coherent-incoherent transition (Toulouse limit) at moderate dissipation and predicts a rate dynamics in the overdamped regime. Challenging problems such as the dynamical description of quantum phase transition (local- ization) and the numerical stability of the trace-conserving, nonlinear stochastic Liouville equation are outlined.