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arXiv:2306.15601 · Journal of Physics A Mathematical and Theoretical

Hybrid Koopman C ∗ –formalism and the hybrid quantum–classical master equation *

Carlos Bouthelier-Madre, Jesús Clemente-Gallardo, L González-Bravo, David Martínez-Crespo

Published Aug 9, 2023• 5 citations
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Abstract

Abstract Based on Koopman formalism for classical statistical mechanics, we propose a formalism to define hybrid quantum–classical dynamical systems by defining (outer) automorphisms of the C ∗ algebra of hybrid operators and realizing them as linear transformations on the space of hybrid states. These hybrid states are represented as density matrices on the Hilbert space obtained from the hybrid C ∗ –algebra by the GNS construction. We also classify all possible dynamical systems which are unitary and obtain the possible hybrid Hamiltonian operators.

DOI
10.1088/1751-8121/aceed5

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Abstract Based on Koopman formalism for classical statistical mechanics, we propose a formalism to define hybrid quantum–classical dynamical systems by defining (outer) automorphisms of the C ∗ algebra of hybrid operators and realizing them as linear transformations on the space of hybrid states. These hybrid states are represented as density matrices on the Hilbert space obtained from the hybrid C ∗ –algebra by the GNS construction. We also classify all possible dynamical systems which are unitary and obtain the possible hybrid Hamiltonian operators.
Abstract Descriptions of classical mechanics in Hilbert space go back to the work of Koopman and von Neumann in the 1930s. Decades later, van Hove derived a unitary representation of the group of contact transformations which recently has been used to develop a novel formulation of classical mechanics in Hilbert space. This formulation differs from the Koopman-von Neumann theory in many ways. Classical observables are represented by van Hove operators, which satisfy a commutation algebra isomorphic to the Poisson algebra of functions in phase space. Moreover, these operators are both observables and generators of transformations, which makes it unnecessary to introduce unobservable auxiliary operators as in the Koopman-von Neumann theory. In addition, for consistency with classical mechanics, a constraint must be imposed that fixes the phase of the wavefunction. The approach can be extended to hybrid mixed classical-quantum systems in Hilbert space. The formalism is applied to the measurement of a quantum two-level system (qubit) by a classical apparatus.
General statistical ensembles in the Hamiltonian formulation of hybrid quantum-classical systems are analyzed. It is argued that arbitrary probability densities on the hybrid phase space must be considered as the class of possible physically distinguishable statistical ensembles of hybrid systems. Nevertheless, statistical operators associated with the hybrid system and with the quantum subsystem can be consistently defined. Dynamical equations for the statistical operators representing the mixed states of the hybrid system and its quantum subsystem are derived and analyzed. In particular, these equations irreducibly depend on the total probability density on the hybrid phase space.
Motivated by models of mixed quantum-classical hybrid theories, we consider the representation of classical observables as Hilbert-space operators based on van Hove's unitary representation of contact transformations. This leads to a reformulation of classical mechanics where the phase space density satisfies the Liouville equation and, more importantly, classical observables are represented by van Hove operators that satisfy a commutation algebra isomorphic to the classical Poisson algebra of functions in phase space. Thus, this Hilbert space approach captures all the essential features of the phase space formulation of classical mechanics in that it reproduces its algebraic structure -- something that is not achieved by other approaches such as the Koopman-von Neumann theory. As an important feature, the definition of appropriate physical states in this formalism imposes certain natural requirements on the phase of the classical wave function, which ensure correct expectation values for the observables. Furthermore, we discuss how to extend the approach to the hybrid van Hove theory of mixed classical-quantum systems and illustrate its application with the example of interacting classical and quantum oscillators. Finally, we focus on the question of how hybrid van Hove theory evades no-go theorems on mixed classical-quantum systems and point to the various assumptions of the no-go theorems that do not apply to our approach. This demonstrates that these no-go theorems are not universally applicable, contrary to their original claims.
The study of mathematical connections between operator-theoretic formulations of classical dynamics and quantum mechanics began at least as early as the 1930s in work of Koopman and von Neumann and was developed in later decades by many authors, often independently, into a framework now broadly known as Koopman-von Neumann representation of classical dynamics. This article surveys aspects of this framework for measure-preserving ergodic dynamical systems and connects it with recent approximation techniques for Koopman and transfer operators that are amenable to data-driven numerical implementation. In broad terms, these methods are based on representations of (i) classical observables as elements of an algebra of operators acting on a Hilbert space; and (ii) classical probability measures as elements of the state space of that algebra, with lifted versions of the Koopman and transfer operators inducing dynamical evolution of observables and states, respectively. A common theme underlying the techniques surveyed here is the use of reproducing kernel Hilbert spaces with coalgebra structure (so-called "reproducing kernel Hilbert algebras'') that aids the quantum representation of classical objects, as well as the use of Fock spaces to build approximation schemes with high expressivity and structure preservation properties (notably, preservation of positivity and multiplicativity of composition operators). Applications to quantum algorithms for approximating the Koopman evolution of observables in systems with pure point spectra are also discussed.
We deal with the reversible dynamics of coupled quantum and classical systems. Based on a recent proposal by the authors, we exploit the theory of hybrid quantum–classical wavefunctions to devise a closure model for the coupled dynamics in which both the quantum density matrix and the classical Liouville distribution retain their initial positive sign. In this way, the evolution allows identifying a classical and a quantum state in interaction at all times, thereby addressing a series of stringent consistency requirements. After combining Koopman's Hilbert-space method in classical mechanics with van Hove's unitary representations in prequantum theory, the closure model is made available by the variational structure underlying a suitable wavefunction factorization. Also, we use Poisson reduction by symmetry to show that the hybrid model possesses a noncanonical Poisson structure that does not seem to have appeared before. As an example, this structure is specialized to the case of quantum two-level systems.
Gaussian quantum systems exhibit many explicitly quantum effects but can be simulated classically. By using both the Hilbert space (Koopman) and the phase-space (Moyal) formalisms we investigate how robust this classicality is. We find failures of consistency of the dynamics of hybrid classical-quantum systems from both perspectives. By demanding that no unobservable operators couple to the quantum sector in the Koopmanian formalism, we show that the classical equations of motion act on their quantum counterparts without experiencing any back reaction, resulting in nonconservation of energy in the quantum system. By using the phase-space formalism we study the short-time evolution of the moment equations of a hybrid classical-Gaussian quantum system and observe violations of the Heisenberg uncertainty relation in the quantum sector for a broad range of initial conditions. We estimate the timescale for these violations, which is generically rather short. This inconsistency indicates that while many explicitly quantum effects can be represented classically, quantum aspects of the system cannot be fully masked. We comment on the implications of our results for quantum gravity.