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The Journal of Chemical Physics

Spectral and entropic characterizations of Wigner functions: Applications to model vibrational systems

Anatoliy V. Luzanov

Published Sep 2, 2008• 1 citation
Publisher

Abstract

The Wigner function for the pure quantum states is used as an integral kernel of the non-Hermitian operator K, to which the standard singular value decomposition (SVD) is applied. It provides a set of the squared singular values treated as probabilities of the individual phase-space processes, the latter being described by eigenfunctions of KK(+) (for coordinate variables) and K(+)K (for momentum variables). Such a SVD representation is employed to obviate the well-known difficulties in the definition of the phase-space entropy measures in terms of the Wigner function that usually allows negative values. In particular, the new measures of nonclassicality are constructed in the form that automatically satisfies additivity for systems composed of noninteracting parts. Furthermore, the emphasis is given on the geometrical interpretation of the full entropy measure as the effective phase-space volume in the Wigner picture of quantum mechanics. The approach is exemplified by considering some generic vibrational systems. Specifically, for eigenstates of the harmonic oscillator and a superposition of coherent states, the singular value spectrum is evaluated analytically. Numerical computations are given for the nonlinear problems (the Morse and double well oscillators, and the Henon-Heiles system). We also discuss the difficulties in implementation of a similar technique for electronic problems.

DOI
10.1063/1.2968607

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The Wigner function for the pure quantum states is used as an integral kernel of the non-Hermitian operator K, to which the standard singular value decomposition (SVD) is applied. It provides a set of the squared singular values treated as probabilities of the individual phase-space processes, the latter being described by eigenfunctions of KK(+) (for coordinate variables) and K(+)K (for momentum variables). Such a SVD representation is employed to obviate the well-known difficulties in the definition of the phase-space entropy measures in terms of the Wigner function that usually allows negative values. In particular, the new measures of nonclassicality are constructed in the form that automatically satisfies additivity for systems composed of noninteracting parts. Furthermore, the emphasis is given on the geometrical interpretation of the full entropy measure as the effective phase-space volume in the Wigner picture of quantum mechanics. The approach is exemplified by considering some generic vibrational systems. Specifically, for eigenstates of the harmonic oscillator and a superposition of coherent states, the singular value spectrum is evaluated analytically. Numerical computations are given for the nonlinear problems (the Morse and double well oscillators, and the Henon-Heiles system). We also discuss the difficulties in implementation of a similar technique for electronic problems.
Abstract It is common knowledge that the Wigner function of a quantum state may admit negative values, so that it cannot be viewed as a genuine probability density. Here, we examine the difficulty in finding an entropy-like functional in phase space that extends to negative Wigner functions and then advocate the merits of defining a complex-valued entropy associated with any Wigner function. This quantity, which we call thecomplex Wigner entropy, is defined via the analytic continuation of Shannon’s differential entropy of the Wigner function in the complex plane. We show that the complex Wigner entropy enjoys interesting properties, especially its real and imaginary parts are both invariant under Gaussian unitaries (displacements, rotations, and squeezing in phase space). Its real part is physically relevant when considering the evolution of the Wigner function under a Gaussian convolution, while its imaginary part is simply proportional to the negative volume of the Wigner function. Finally, we define the complex-valued Fisher information of any Wigner function, which is linked (via an extended de Bruijn’s identity) to the time derivative of the complex Wigner entropy when the state undergoes Gaussian additive noise. Overall, it is anticipated that the complex plane yields a proper framework for analyzing the entropic properties of quasiprobability distributions in phase space.
Abstract Given its well known spectral decomposition profile, the 1-dim harmonic oscillator potential modified by an inverse square (1-dim angular momentum-like) contribution works as an efficient platform for probing classical and quantum information quantifiers in the context of the phase-space Weyl-Wigner formalism. In particular, the phase-space informational content related to the canonical ensemble driven by such a singular oscillator can be quantified in terms of well established analytical structures. Considering that, on one hand, the singular oscillator produce a spectral decomposition profile equivalent to that one of the unmodified harmonic system – in the sense that they result into identical thermodynamic statistics, even for different statistical mixtures – on the other hand, a more complete scrutinization of their phase-space information content can capture some different aspects of the encoded information for the related quantum ensembles. Besides the identification of decoherence effects, the Wigner flow analysis is presumedly useful in identifying stable quantum configurations, according to finite temperature and interaction parameter values. Unexpectedly, our results show that the equivalence between the statistical (quantum) mechanics of the anharmonic singular oscillator and an ordinary harmonic oscillator can also be extended to the phase-space quantum purity quantifier, which is analytically computed and reproduces exactly the same quantum ensemble statistical mixture profile, which does not depend on interaction parameter values.
Starting from Wigner's definition of the function named now after him we systematically develop different representation of this quasiprobability with emphasis on symmetric representations concerning the canonical variables ( ) , q p of phase space and using the known relation to the parity operator.One of the representations is by means of the Laguerre 2D polynomials which is particularly effective in quantum optics.For the coherent states we show that their Fourier transforms are again coherent states.We calculate the Wigner quasiprobability to the eigenstates of a particle in a square well with infinitely high impenetrable walls which is not smooth in the spatial coordinate and vanishes outside the wall boundaries.It is not well suited for the calculation of expectation values.A great place takes on the calculation of the Wigner quasiprobability for coherent phase states in quantum optics which is essentially new.We show that an unorthodox entire function plays there a role in most formulae which makes all calculations difficult.The Wigner quasiprobability for coherent phase states is calculated and graphically represented but due to the involved unorthodox function it may be considered only as illustration and is not suited for the calculation of expectation values.By another approach via the number representation of the states and using the recently developed summation formula by means of Generalized Eulerian numbers it becomes possible to calculate in approximations with good convergence the basic expectation values, in particular, the basic uncertainties which are additionally represented in graphics.Both considered examples, the square well and the coherent phase states, belong to systems with ( ) 1,1 SU symmetry with the same index 1 2 k = of unitary irreducible representations.
The Wigner function of quantum systems is an effective instrument for constructing an approximate classical description of the systems for which the classical approximation is possible. In recent years, the Wigner function formalism has been applied as well to seek indications of specific quantum properties of quantum systems leading to the impossibility of constructing the classical approximation. Used most of all as such an indication is the existence of negative values in the Wigner function for specific states of the quantum system being studied. The existence of such values itself prejudices the probabilistic interpretation of the Wigner function, though for an arbitrary observable depending jointly on the coordinate and the momentum of the quantum system just the Wigner function provides an effective instrument for calculating the average value and the other statistical characteristics. In this paper, a probabilistic interpretation of the Wigner function based on coordinating a theoretical probabilistic definition of the probability density, with restrictions to a physically small domain of phase space due to the uncertainty principle, is proposed.
Phase-space features of the Wigner flow for an anharmonic quantum system driven by the harmonic oscillator potential modified by the addition of an inverse square (one-dimensional Coulomb-like) contribution are analytically described in terms of Wigner functions and Wigner currents. Reporting about three correlated continuity equations which quantify the flux of quantum information in the phase space, the nonclassicality profile of such an anharmonic system can be consistently obtained in terms of the fluxes of probability, purity, and von Neumann--like entropy. Considering that quantum fluctuations can be identified from distortions over the classical regime, they can be quantified through the above-mentioned information fluxes whenever some classically bounded volume of the phase space is selected. Our results suggest that the Wigner flow approach works as a probe of quantumness and classicality for a large set of anharmonic quantum systems driven by quantum wells.
Just as a coherent state may be considered as a quantum point, its restriction to a factor space of the full Hilbert space can be interpreted as a quantum plane. The overlap of such a factor coherent state with a full pure state is akin to a quantum section. It defines a reduced pure state in the cofactor Hilbert space. Physically, this factorization corresponds to the description of interacting components of a quantum system with many degrees of freedom and the sections could be generated by conceivable partial measurements. The collection of all the Wigner functions corresponding to a full set of parallel quantum sections defines the Husimi–Wigner representation. It occupies an intermediate ground between the drastic suppression of non-classical features, characteristic of Husimi functions, and the daunting complexity of higher dimensional Wigner functions. After analysing these features for simpler states, we exploit this new representation as a probe of numerically computed eigenstates of a chaotic Hamiltonian. Though less regular, the individual two-dimensional Wigner functions resemble those of semiclassically quantized states.