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The Journal of Chemical Physics

Semiclassical quantization of the Liouville formulation of classical mechanics

Charles Jaffé

Published Jun 15, 1988• 9 citations
Publisher

Abstract

A new method for the quantization of classical Hamiltonian systems is presented. This method is based upon the correspondence between the Liouville formulation of classical mechanics and the Liouville–von Neumann formulation of quantum mechanics. It does not distinguish between integrable and nonintegrable systems, and consequently, is equally applicable to both types of systems. Further, it treats the indistinguishability of identical particles correctly, and thus, the semiclassical eigenstates have the correct symmetry properties. Application of the method is illustrated by a series of examples. The results are in excellent agreement with quantum mechanics and represent an improvement over results obtained using the uniform semiclassical approximation.

DOI
10.1063/1.454325

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A new method for the quantization of classical Hamiltonian systems is presented. This method is based upon the correspondence between the Liouville formulation of classical mechanics and the Liouville–von Neumann formulation of quantum mechanics. It does not distinguish between integrable and nonintegrable systems, and consequently, is equally applicable to both types of systems. Further, it treats the indistinguishability of identical particles correctly, and thus, the semiclassical eigenstates have the correct symmetry properties. Application of the method is illustrated by a series of examples. The results are in excellent agreement with quantum mechanics and represent an improvement over results obtained using the uniform semiclassical approximation.
The quantization process was always tightly connected to the Hamiltonian formulation of classical mechanics. For non-Hamiltonian systems, traditional quantization algorithms turn out to be unsuitable. Numerous attempts to quantize non-Hamiltonian systems have shown that this problem is nontrivial and requires the development of new approaches. In this paper, we present the quantization methods that do not depend upon the Hamiltonian formulation of classical mechanics. Two approaches to the quantization of mechanical systems are considered: axiomatic and hydrodynamic. It is shown that the formal application of these approaches to the classical Hamilton-Jacobi theory allows obtaining the wave equation for the corresponding quantum system in natural way. Examples are considered that show the effectiveness of the proposed approaches, both for Hamiltonian and non-Hamiltonian systems. The spinor form of the relativistic Hamilton-Jacobi theory for classical particles is considered. It is shown that it naturally leads to the Dirac equation for the corresponding quantum particle and to its non-Hamiltonian generalization, the bispinor relativistic Kostin equation.
We present a new method for the semiclassical quantization of classically integrable as well as nonintegrable systems. The method is based on the semiclassical approximation of the equilibrium density matrix, using classical trajectories on the upside down potential surface. Periodic orbits do not play any special role. Explicit results are given for the case of the classically chaotic potential kx2y2/2{\mathrm{kx}}^{2}{y}^{2}/2kx2y2/2.
The classical-quantum correspondence is developed in its most natural setting, i.e., that of phase space distributions. Specifically, the Wigner–Weyl representation of the two fundamental quantum densities ‖n≳<n‖ and ‖n≳<m‖, which are eigenstates of the quantum Liouville operator, are shown, for integrable systems, to yield stationary and nonstationary classical Liouville eigenstates in the ℏ→0 limit. The former are uniform distributions on semiclassically quantized tori, whereas the latter are nonuniform distributions on similar tori at intermediate actions. Applications to semiclassical mechanics in action-angle variable, the Heisenberg correspondence for matrix elements and the computation of vibrational intensities are provided.
An exact Hamiltonian formulation of nonrelativistic quantum mechanics that simplifies to ordinary classical mechanics as \ensuremath{\Elzxh}\ensuremath{\rightarrow}0 is presented. The theory allows one to treat a quantum system as the corresponding classical system mechanically connected to an infinite number of additional classical degrees of freedom. The onset of quantum effects such as tunneling and interference results from the mechanical interactions between the different parts of the overall infinite system. The formalism is applied to the one-dimensional motion of a particle in a symmetric double well. It is shown that the tunneling in that system involves multidimensional classical motion that circumvents the barrier.
A unified treatment of quantum mechanical oscillatory motion in one dimension is presented in a phase space formalism which is especially adapted to the semiclassical energy domain and closely related to a `naive' quantization of action and angle variables. Characteristics of this scheme are non-classical symmetry properties of the phase space functions representing density operators and observables and the inclusion of half-Bohr orbits besides the familiar Bohr orbits. Over long time intervals the quantum evolution can be well approximated by a Hamiltonian flow along these distinguished classical orbits. The interplay of this reduced classical evolution and the symmetry properties of the phase space functions results in a consistent quantitative description of quantum interference effects which are most clearly seen in the revivals of wavepackets.
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.