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arXiv:2305.18644

Classical and semi-classical limits in phase space

Clay D. Spence

Published May 29, 2023• 0 citations
arXivHTMLPDF

Abstract

A semiclassical approximation is derived by using a family of wavepackets to map arbitrary wavefunctions into phase space. If the Hamiltonian can be approximated as linear over each individual wavepacket, as often done when presenting Ehrenfest's theorem, the resulting approximation is a linear first-order partial differential equation on phase space, which will be referred to as the Schrödinger-Ehrenfest or SE equation. This advectively transports wavefunctions along classical trajectories, so that as a trajectory is followed in time the amplitude remains constant while the phase changes by the action divided by $\hbar$. The wavefunction's squared-magnitude is a plausible phase space density and obeys Liouville's equation for the classical time evolution. This is a derivation of the Koopman-von~Neumann (KvN) formulation of classical mechanics, which previously was postulated but not derived. With the time-independent SE equation, continuity of the wavefunction requires the change of phase around any closed path in the torus covered by a classical trajectory to be an integer multiple of $2π$, giving a standing wave picture of old quantum mechanics. While this applies to any system, for separable systems it gives Bohr-Sommerfeld quantization.

DOI
10.48550/arxiv.2305.18644

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A semiclassical approximation is derived by using a family of wavepackets to map arbitrary wavefunctions into phase space. If the Hamiltonian can be approximated as linear over each individual wavepacket, as often done when presenting Ehrenfest's theorem, the resulting approximation is a linear first-order partial differential equation on phase space, which will be referred to as the Schrödinger-Ehrenfest or SE equation. This advectively transports wavefunctions along classical trajectories, so that as a trajectory is followed in time the amplitude remains constant while the phase changes by the action divided by ℏ\hbarℏ. The wavefunction's squared-magnitude is a plausible phase space density and obeys Liouville's equation for the classical time evolution. This is a derivation of the Koopman-von~Neumann (KvN) formulation of classical mechanics, which previously was postulated but not derived. With the time-independent SE equation, continuity of the wavefunction requires the change of phase around any closed path in the torus covered by a classical trajectory to be an integer multiple of 2π2π2π, giving a standing wave picture of old quantum mechanics. While this applies to any system, for separable systems it gives Bohr-Sommerfeld quantization.
Koopman and von Neumann (KvN) extended the Liouville equation by introducing a phase space function S(K)(q,p,t)S^{(K)}(q,p,t)S(K)(q,p,t) whose physical meaning is unknown. We show that a different S(q, p, t), with well-defined physical meaning, may be introduced without destroying the attractive “quantum-like” mathematical features of the KvN theory. This new S(q, p, t) is the classical action expressed in phase space coordinates. It defines a mapping between observables and operators which preserves the Lie bracket structure. The new evolution equation reduces to Schrödinger’s equation if functions on phase space are reduced to functions on configuration space. This new kind of “quantization” does not only establish a correspondence between observables and operators, but provides in addition a derivation of quantum operators and evolution equations from corresponding classical entities. It is performed by replacing ∂∂p\frac{\partial }{\partial p}∂p∂​ by 0 and p by ℏı∂∂q\frac{\hbar }{\imath } \frac{\partial }{\partial q}ℏ​∂q∂​ , thus providing an explanation for the common quantization rules.
The Koopman-von Neumann (KvN) formalism recasts classical mechanics in a Hilbert space framework using complex wavefunctions and linear operators, akin to quantum mechanics. Instead of evolving probability densities in phase space (as in Liouville's equation), KvN uses a Schrödinger-like equation for a classical wavefunction, with commuting position and momentum operators. Mapped to quantum computing, KvN offers a promising route to simulate classical dynamical systems using quantum algorithms by leveraging unitary evolution and quantum linear algebra tools, potentially enabling efficient classical-to-quantum mappings without invoking full quantum uncertainty. In this work, we specifically explore the implementation of the KvN approach on continuous-variable photonic quantum computing architectures, with the goals of leveraging quantum simulation for both sampling and computing intractable nonlinear dynamics. We will demonstrate its implementation and feasibility with two problems: the harmonic oscillator and a 1D partial differential equation governing nonlinear dynamics.
The simulation of nonlinear ordinary differential equations on quantum computers is inherently challenging, as quantum gates are linear operators on qubit states. In this paper, we put forth a Koopman-von Neumann (KvN) operator based algorithm for solving nonlinear ordinary differential equations on a quantum computer which overcomes the innate limitations of quantum operations. In this approach, a Liouville probability density is embedded into a wavefunction, the evolution of which is governed by an operator dual to the Koopman operator. The trajectories corresponding to the nonlinear differential equations are reconstructed from the average value of Koopman observables evaluated through quantum measurements. We specifically evaluate the computational limitations of solving nonlinear equations within this Liouville embedding framework. An Ehrenfest-type estimate is derived that relates the reconstruction error to the covariance of the transported density, highlighting the competition between linear stretching and Hessian-induced folding.This leads to a key stability criterion, which depends on the local Ehrenfest-Reynolds number. We discuss the effects of measurement-induced errors including those due to Hadamard-test sampling, amplitude estimation, and bias due to covariance in probabilistic Grover-type inference on the evaluation of trajectories. The limiting bounds on the accuracy of quantum computations are numerically verified for the Lotka-Volterra system and for the quartic oscillator. We observe a rapid growth in computational errors when the Ehrenfest-Reynolds number approaches the predicted threshold. The bounds resulting from our analysis provide key guidelines for selecting the width of the initial Gaussian probability distribution associated with a system of nonlinear ordinary differential equations.
Abstract In this chapter we study the limit ħ → 0 of quantum mechanics. The passage from quantum mechanics to classical mechanics involves precisely this limit, and the approximation schemes developed for small ħ are known as the semi-classical approximation. The semi-classical approximation has a predecessor: the so-called old quantum theory. Many of the questions concerning the connection between the quantum and classical mechanics were already raised during the years of foundation of quantum mechanics, 1900–1927, but satisfactory answers have not always been obtained.
The classical limit ℏ\hbarℏ->0 of quantum mechanics is known to be delicate, in particular there seems to be no simple derivation of the classical Hamilton equation, starting from the Schrödinger equation. In this paper I elaborate on an idea of M. Reuter to represent wave functions by parallel sections of a flat vector bundle over phase space, using the connection of Fedosov's construction of deformation quantization. This generalizes the ordinary Schrödinger representation, and allows naturally for a description of quantum states in terms of a curve plus a wave function. Hamilton's equation arises in this context as a condition on the curve, ensuring the dynamics to split into a classical and a quantum part.
The Koopman–von Neumann (KvN) formulation recasts deterministic classical mechanics in a Hilbert-space operator framework analogous to quantum mechanics. In this approach, the Liouville equation is expressed as a Schrödinger-type evolution equation generated by a Hermitian operator, yielding unitary propagation for phase-space-volume-preserving dynamics. We first clarify the relationship among the Koopman, Perron–Frobenius, and Liouville operators through an explicit example. Wilczek's construction shows that the KvN formalism is not only restricted to canonical Hamiltonian mechanics but this can be generalized any first-order classical dynamical system. Wilczek shows how a general autonomous first-order system can be generated by a Hermitian temporal-evolution operator after the introduction of auxiliary conjugate variables. We develop the KvN description of systems driven by Hamiltonian curl forces–position-dependent, non-conservative forces that are non-dissipative and preserve phase-space volume. Finally, we extend the KvN formalism to non-Hamiltonian systems using the Jacobi Last Multiplier and examine its connection to the Boltzmann H-theorem.