A formalism for studying the dynamics of quantum systems embedded in classical spin baths is introduced. The theory is based on generalized antisymmetric brackets and predicts the presence of open-path off-diagonal geometric phases in the evolution of the density matrix. The weak coupling limit of the equation can be integrated by standard algorithms and provides a non-Markovian approach to the computer simulation of quantum systems in classical spin environments. It is expected that the theory and numerical schemes presented here have a wide applicability.
A formalism for studying the dynamics of quantum systems embedded in classical spin baths is introduced. The theory is based on generalized antisymmetric brackets and predicts the presence of open-path off-diagonal geometric phases in the evolution of the density matrix. The weak coupling limit of the equation can be integrated by standard algorithms and provides a non-Markovian approach to the computer simulation of quantum systems in classical spin environments. It is expected that the theory and numerical schemes presented here have a wide applicability.
Understanding the dynamics of dissipative quantum systems, particularly beyond the weak coupling approximation, is central to various quantum applications. While numerically exact methods provide accurate solutions, they often lack the analytical insight provided by theoretical approaches. In this study, we employ the recently developed method dubbed the effective Hamiltonian theory to understand the dynamics of system-bath configurations without resorting to a perturbative description of the system-bath coupling energy. Through a combination of mapping steps and truncation, the effective Hamiltonian theory offers both analytical insights into signatures of strong couplings in open quantum systems and a straightforward path for numerical simulations. To validate the accuracy of the method, we apply it to two canonical models: a single spin immersed in a bosonic bath and two noninteracting spins in a common bath. In both cases, we study the transient regime and the steady state limit at nonzero temperature and spanning system-bath interactions from the weak to the strong regime. By comparing the results of the effective Hamiltonian theory with numerically exact simulations, we show that although the former overlooks non-Markovian features in the transient equilibration dynamics, it correctly captures non-perturbative bath-generated couplings between otherwise non-interacting spins, as observed in their synchronization dynamics and correlations. Altogether, the effective Hamiltonian theory offers a powerful approach for understanding strong coupling dynamics and thermodynamics, capturing the signatures of such interactions in both relaxation dynamics and in the steady state limit.
A system of spins coupled to a bath is a traditional setup in open quantum systems. Through Heisenberg's equation, the spin dynamics can be modeled by a set of first-order differential equations. Interpreting the terms as colored noise and non-Markovian damping, one can write them as quantummechanical Heisenberg-Langevin (HL) equations. These are notoriously difficult to solve because of the high dimensionality of the Hilbert space. Classical generalized Langevin equations, involving non-Markovian damping and colored noise, are well understood and can be treated numerically with relative ease. Thus, a classical ansatz can be made by substituting quantum expectation values with classical functions. This allows the application of standard methods developed for classical stochastic dynamical systems to tackle spin dynamics. However, this approach is uncontrolled and should be benchmarked against known quantum dynamics. In this investigation, a Hamiltonian for spin dynamics is modified to obtain a setup analogous to the Weisskopf-Wigner (WW) theory of spontaneous emission, enabling a comparison of the results. This will be compared for T = 0 and with a slight adaptation in the high-temperature limit.
Abstract We introduce an exact open system method to describe the dynamics of quantum systems that are strongly coupled to specific types of environments comprising of spins, such as central spin systems. Our theory is similar to the established non-Markovian quantum state diffusion theory, but for a spin bath instead of a Gaussian bath. The method allows us to represent the time-evolved reduced state of the system as an ensemble average of stochastically evolving pure states. We present a comprehensive theory for arbitrary linear spin environments at both zero and finite temperatures. Furthermore, we introduce a hierarchical expansion method that enables the numerical computation of the time evolution of the stochastic pure states, facilitating a numerical solution of the open system problem in relevant strong coupling regimes.
Solving quantum dynamics is an exponentially difficult problem. Thus, an exact numerical solution is inaccessible for any condensed matter system.\nA promising approach is to divide the system into a quantum subsystem containing degrees of freedom which are of greater interest or those which have more profound quantum character (e.g., have smaller mass) and a classical bath containing the rest of the system.\nImposing such a partition and treating the bath classically results in quantum-classical dynamics. The quantum-classical Liouville equation is a general equation in the Hilbert space of quantum degrees of freedom while it resides in the phase space of the classical degrees of freedom.\nAny numerical solution to this equation requires representation of the quantum subsystem in some basis. Solutions to this equation have been already proposed in the subsystem, adiabatic and force bases, each with its own cons and pros.\n\nIn this work, the quantum-classical equations of motion are cast in the subsystem basis and subsequently mapped to a number of fictitious harmonic oscillators.\nThe result is quantum-classical dynamics in the mapping basis which treats both quantum and classical degrees of freedom on the same footing, i.e., in phase space. Neglecting a portion of the back reaction of the quantum-subsystem to classical bath results in an expression for the time evolution of an operator (density matrix) equal to its Poisson bracket with the Hamiltonian.\nThis equation can be solved in terms of characteristics to provide a computationally tractable method for calculating quantum-classical dynamical properties. The expressions for expectation values and correlation functions in this formalism are derived.\nCalculations on spin-boson system, barrier crossing models---the so called Tully models---and the Fenna-Mathews-Olson pigments show very good agreement between the results of this method and numerical solutions to the Schrödinger equation.
The conditions under which quantum-classical Liouville dynamics may be reduced to a master equation are investigated. Systems that can be partitioned into a quantum-classical subsystem interacting with a classical bath are considered. Starting with an exact non-Markovian equation for the diagonal elements of the density matrix, an evolution equation for the subsystem density matrix is derived. One contribution to this equation contains the bath average of a memory kernel that accounts for all coherences in the system. It is shown to be a rapidly decaying function, motivating a Markovian approximation on this term in the evolution equation. The resulting subsystem density matrix equation is still non-Markovian due to the fact that bath degrees of freedom have been projected out of the dynamics. Provided the computation of nonequilibrium average values or correlation functions is considered, the non-Markovian character of this equation can be removed by lifting the equation into the full phase space of the system. This leads to a trajectory description of the dynamics where each fictitious trajectory accounts for decoherence due to the bath degrees of freedom. The results are illustrated by computations of the rate constant of a model nonadiabatic chemical reaction.
Quantum Markov models are employed ubiqui-tously in quantum physics and in quantum information theory due to their relative simplicity and analytical tractability. In particular, these models are known to give accurate approxi-mations for a wide range of quantum optical and meso scopic systems. However, in general, the validity of the Markov approximation entails assumptions regarding properties of the system of interest and its environment, which may not be satisfied or accurate in arbitrary physical systems. Therefore, developing useful modelling tools for general non-Markovian quantum systems for which the Markov approximation is inappropriate or deficient is an undertaking of significant importance. This work considers non-Markovian principal quantum systems that can be embedded in a larger Markovian quantum system with one or more compound baths consisting of an auxiliary quantum system and a quantum white noise field, and derives a set of coupled stochastic and quantum master equations for embedded non-Markovian quantum systems. The case of a purely Hamiltonian coupling between the principal and auxiliary systems as a closed system without coupling to white noises is included as a special case. The results are expected to be of interest for (open-loop and feedback) control of continuous-time non-Markovian systems and studying reduced models for numerical simulation of such systems. They may also shed more light on the general structure of continuous-time non-Markovian quantum systems.