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Based on Koopmans theory of classical wavefunctions in phase space, we present the Koopman-van Hove (KvH) formulation of classical mechanics as well as some of its properties. In particular, we show how the associated classical Liouville density arises as a momentum map associated to the unitary action of strict contact transformations on classical wavefunctions. Upon applying the Madelung transform from quantum hydrodynamics in the new context, we show how the Koopman wavefunction picture is insufficient to reproduce arbitrary classical distributions. However, this problem is entirely overcome by resorting to von Neumann operators. Indeed, we show that the latter also allow for singular $delta-$like profiles of the Liouville density, thereby reproducing point particles in phase space.
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Based on the Koopman-van Hove (KvH) formulation of classical mechanics introduced in Part I, we formulate a Hamiltonian model for hybrid quantum-classical systems. This is obtained by writing the KvH wave equation for two classical particles and applying canonical quantization to one of them. We illustrate several geometric properties of the model regarding the associated quantum, classical, and hybrid densities. After presenting the quantum-classical Madelung transform, the joint quantum-classical distribution is shown to arise as a momentum map for a unitary action naturally induced from the van Hove representation on the hybrid Hilbert space. While the quantum density matrix is positive by construction, no such result is currently available for the classical density. However, here we present a class of hybrid Hamiltonians whose flow preserves the sign of the classical density. Finally, we provide a simple closure model based on momentum map structures.
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. After combining Koopmans Hilbert-space method in classical mechanics with van Hoves 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.
Upon revisiting the Hamiltonian structure of classical wavefunctions in Koopman-von Neumann theory, this paper addresses the long-standing problem of formulating a dynamical theory of classical-quantum coupling. The proposed model not only describes the influence of a classical system onto a quantum one, but also the reverse effect -- the quantum backreaction. These interactions are described by a new Hamiltonian wave equation overcoming shortcomings of currently employed models. For example, the density matrix of the quantum subsystem is always positive-definite. While the Liouville density of the classical subsystem is generally allowed to be unsigned, its sign is shown to be preserved in time for a specific infinite family of hybrid classical-quantum systems. The proposed description is illustrated and compared with previous theories using the exactly solvable model of a degenerate two-level quantum system coupled to a classical harmonic oscillator.
In this article we describe the relation between the Chern-Simons gauge theory partition function and the partition function defined using the symplectic action functional as the Lagrangian. We show that the partition functions obtained using these two Lagrangians agree, and we identify the semiclassical formula for the partition function defined using the symplectic action functional.
The Hamiltonian action of a Lie group on a symplectic manifold induces a momentum map generalizing Noethers conserved quantity occurring in the case of a symmetry group. Then, when a Hamiltonian function can be written in terms of this momentum map, the Hamiltonian is called `collective. Here, we derive collective Hamiltonians for a series of models in quantum molecular dynamics for which the Lie group is the composition of smooth invertible maps and unitary transformations. In this process, different fluid descriptions emerge from different factorization schemes for either the wavefunction or the density operator. After deriving this series of quantum fluid models, we regularize their Hamiltonians for finite $hbar$ by introducing local spatial smoothing. In the case of standard quantum hydrodynamics, the $hbar e0$ dynamics of the Lagrangian path can be derived as a finite-dimensional canonical Hamiltonian system for the evolution of singular solutions called `Bohmions, which follow Bohmian trajectories in configuration space. For molecular dynamics models, application of the smoothing process to a new factorization of the density operator leads to a finite-dimensional Hamiltonian system for the interaction of multiple (nuclear) Bohmions and a sequence of electronic quantum states.
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