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The Journal of Chemical Physics

A quantum mechanical representation in phase space

Go. Torres-Vega, John H. Frederick

Published Feb 15, 1993• 95 citations
Publisher

Abstract

A quantum mechanical representation suitable for studying the time evolution of quantum densities in phase space is proposed and examined in detail. This representation on ℒ2 (2) phase space is based on definitions of the operators P̂ and Q̂ in phase space that satisfy various correspondences for the Liouville equation in classical and quantum phase space, as well as quantum position and momentum ℒ2 (1) spaces. The definitions presented here, P̂=p/2−iℏ∂/∂q and Q̂=q/2+iℏ∂/∂p, are related to definitions that have been recently proposed [J. Chem. Phys. 93, 8862 (1990)]. The resulting quantum phase space representation shares many of the mathematical properties of usual representations in coordinate and momentum spaces. Within this representation, time evolution equations for complex-valued functions (wave functions) and their square magnitudes (distribution functions) are derived, and it is shown that the coordinate and momentum space time evolution equations can be recovered by a simple Fourier projection. The phase space quantum probability conservation equation obtained is a good illustration of the quantization rule that requires one to replace the classical Poisson bracket between the Hamiltonian and the probability density with the quantum commutator between the corresponding operators. The possible classical analogs to quantum probabilities densities are also considered and some of the present results are illustrated for the dynamics of the coherent state.

DOI
10.1063/1.464085

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Quanta•Sep 9, 2017•0 citations
A quantum mechanical representation suitable for studying the time evolution of quantum densities in phase space is proposed and examined in detail. This representation on ℒ2 (2) phase space is based on definitions of the operators P̂ and Q̂ in phase space that satisfy various correspondences for the Liouville equation in classical and quantum phase space, as well as quantum position and momentum ℒ2 (1) spaces. The definitions presented here, P̂=p/2−iℏ∂/∂q and Q̂=q/2+iℏ∂/∂p, are related to definitions that have been recently proposed [J. Chem. Phys. 93, 8862 (1990)]. The resulting quantum phase space representation shares many of the mathematical properties of usual representations in coordinate and momentum spaces. Within this representation, time evolution equations for complex-valued functions (wave functions) and their square magnitudes (distribution functions) are derived, and it is shown that the coordinate and momentum space time evolution equations can be recovered by a simple Fourier projection. The phase space quantum probability conservation equation obtained is a good illustration of the quantization rule that requires one to replace the classical Poisson bracket between the Hamiltonian and the probability density with the quantum commutator between the corresponding operators. The possible classical analogs to quantum probabilities densities are also considered and some of the present results are illustrated for the dynamics of the coherent state.
We present a time evolution equation that provides a novel basis for the treatment of quantum systems in phase space and for the investigation of the quantum-classical correspondence. Through the use of a generalized Husimi transform, we obtain a phase space representation of the time-dependent Schrödinger equation directly from the coordinate representation. Such an equation governs the time evolution of densities such as the Husimi density entirely in phase space, without recourse to a coordinate or momentum representation. As an application of the phase-space Schrödinger equation, we compute the eigenfunctions of the harmonic oscillator in phase space, relate these to the Husimi transform of coordinate representation eigenstates, and investigate the coherent state, its time evolution, and classical limit (ℏ→0) for the probability density generated by this state. Finally, we discuss our results as they relate to the quantum-classical correspondence, and quasiclassical trajectory simulations of quantum dynamics.
A relative-state formulation of quantum systems is presented in terms of relative-coordinate states, relative-number states, and relative-energy states. The relative-coordinate states are used to describe quantum systems in position and momentum representations. The probability distribution is calculated in terms of the relative-coordinate states and is shown to be equivalent to the functional definition of the quantum probability in phase space. It is shown that a quantum-mechanical phase operator can be constructed in terms of the relative-number states without the well-known difficulties. The results are compared with those obtained by the Pegg-Barnett phase-operator formalism and the relations to various other phase-operator methods are also discussed. The energy-measurement and energy-probability distributions are discussed in terms of the relative-energy states. Furthermore, a relative-state formulation is developed in the Liouville space. A phase representation in the Liouville space is introduced to investigate the time evolution of quantum coherence. In the Liouville space a time operator is defined as a canonical conjugate of the time-evolution generator, but not the Hamiltonian energy operator. The relation to the internal time presented by Prigogine and Misra is discussed.
For physical systems with Hamiltonians analytic in the position and momentum operators the diagonal matrix elements of the density operator in the coherent state representation may be considered as a phase-space probability measure in the stochastic formulation of quantum mechanics. The correspondence rule relating quantum-mechanical observables to ordinary functions in phase space is obtained. It is shown that the dynamics of the time-dependent phase-space probability densities is again representable in the form of a stochastic process.
We develop a general `classicalization' procedure that links Hilbert-space and phase-space operators, using Weyl's operator. Then we transform the time-dependent Schrödinger equation into a phase-space picture using free parameters. They include position Q and momentum P . We expand the phase-space Hamiltonian in an ℏ-Taylor series and fix parameters with the condition that coefficients of ℏ 0 , -iℏ 1 ∂/∂ Q and iℏ 1 ∂/∂ P vanish. This condition results in generalized Hamilton equations and a natural link between classical and quantum dynamics, while the quantum motion-equation remains exact . In this picture, the Schrödinger equation reduces in the classical limit to a generalized Liouville equation for the quantum-mechanical system state. We modify Glauber's coherent states with a suitable phase factor S ( Q , P , t ) and use them to obtain phase-space representations of quantum dynamics and quantum-mechanical quantities.
Correct use of the Wigner representation of quantum mechanics, which is realized with joint distributions of quasiprobabilities in phase space, requires the use of certain specific rules and attention to a number of properties which distinguish the quasiprobability from a true probability. This paper is mainly concerned with these problems. In the Wigner representation the quantum Liouville equation appears instead of the Schroedinger equation. The solution may have no physical meaning unless it is subjected to a necessary and sufficient condition which selects an allowed class of distributions which describe quantum-mechanical pure states. This condition contains Planck's constant and imposes, besides the uncertainty relations, severe restrictions on the possible form of the Wigner function. When this condition is satisfied, one can reconstruct the wave function from the Wigner function. In the case of an oscillator, the quantization condition for the energies of the stationary states does not follow from the Liouville equation, but from this supplementary condition. Unlike the true probability density, any Wigner function (except Gaussian ones) of a pure state takes on negative values. Another important peculiarity is that the quasiprobability is not concentrated on certain hypersurfaces, but is smeared out over the entire phase space. These and other features considered in this paper should be kept in mind when using the Wigner representation in quantum-mechanical problems.
In non-relativistic quantum mechanics, the absolute square of Schrödinger's wave function for a particle in a potential determines the probability of finding it either at a position or momentum at a given time. In classical mechanics the corresponding problem is determined by the solution of Liouville's equation for the probability density of finding the joint position and momentum of the particle at a given time. Integrating this classical solution over either one of these two variables can then be compared with the probability in quantum mechanics. For the special case that the force is a constant, it is shown analytically that for an initial Gaussian probability distribution, the solution of Liouville's integrated over momentum is equal to Schrödinger's probability function in coordinate space, provided the coordinate and momentum initial widths of this classical solution satisfy the minimal Heisenberg uncertainty relation. Likewise, integrating Lioville's solution over position is equal to Schrödinger's probability function in momentum space. Quanta 2017; 6: 53–56.