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Physical Review A

Modified spectral method in phase space: Calculation of the Wigner function. II. Generalizations

M. Hug, C. Menke, Wolfgang P. Schleich

Published May 1, 1998• 14 citations
Publisher

Abstract

We generalize our modified spectral method for the solution of the coupled real partial differential equations in phase space for the stationary Wigner function of an energy eigenstate. This generalization allows us to apply our algorithm to arbitrary high-order partial derivatives without increasing the numerical costs. This is possible since we can derive a sum factorization formula converting a multiple sum into a simple product. We apply our method to evaluate the Wigner function of the Morse oscillator and an asymmetric double-well potential, and compare our results with the exact solution when it is known.

DOI
10.1103/physreva.57.3206

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How to calculate the Wigner function from phase space

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We present a method for the direct computation of the Wigner function by solving a coupled system of linear partial differential equations in phase space. Our modified spectral method relies on Chebyshev polynomials. Since this approach allows us to include arbitrary high orders of partial derivatives, our procedure is applicable to arbitrary binding potentials. We apply our scheme to Wigner functions of the harmonic oscillator, the Morse oscillator, and an asymmetric double-well potential.

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We consider the time-independent Wigner functions of phase-space quantum mechanics (a.k.a. deformation quantization) for a Morse potential. First, we find them by solving the $\ast$-eigenvalue equations, using a method that can be applied to potentials that are polynomial in an exponential. A Mellin transform converts the $\ast$-eigenvalue equations to difference equations, and factorized solutions are found directly for all values of the parameters. The symbols of both diagonal and off-diagonal density operator elements in the energy basis are found this way. The Wigner transforms of the density matrices built from the known wave functions are then shown to confirm the solutions.

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Construction of an approximate solution of the Wigner equation by uniformization of WKB functions

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In this thesis, we construct an approximate series solution of the Wigner equation in terms of Airy functions, which are semiclassically concentrated on certain Lagrangian curves in two-dimensional phase space. These curves are defined by the eigenvalues and the Hamiltonian function of the associated one-dimensional Schrödinger operator, and they play a crucial role in the quantum interference mechanism in phase space. We assume that the potential of the Schrödinger operator is a single potential well, such that the spectrum is discrete. The construction starts from an eigenfunction series expansion of the solution, which is derived here for first time in a systematic way, by combining the elementary technique of separation of variables with involved spectral results for the Moyal star exponential operator. The eigenfunctions of the Wigner equation are the Wigner transforms of the Schrödinger eigenfunctions, and they are approximated in terms of Airy functions by a uniform stationary phase approximation of the Wigner transforms of the WKB expansions of the Schrödinger eigenfunctions. The approximation of the eigenfunction series is an approximated solution of the Wigner equation, which by projection onto the configuration space provides an approximate wave amplitude, free of turning point singularities. It is generally expected that, the derived wave amplitude is bounded, and correctly scaled, even on caustics, since only finite terms of the approximate terms are significant for WKB initial wave functions with finite energy. The details of the calculations are presented for the simple potential of the harmonic oscillator, in order to be able to check our approximations analytically. But, the same construction can be applied to any potential well, which behaves like the harmonic oscillator near the bottom of the well.

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The Phase–Space Approach to time Evolution of Quantum States in Confined Systems: the Spectral Split–Operator Method

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Abstract Using the phase space approach, we consider the quantum dynamics of a wave packet in an isolated confined system with three different potential energy profiles. We solve the Moyal equation of motion for the Wigner function with the highly efficient spectral split-operator method. The main aim of this study is to compare the accuracy of the employed algorithm through analysis of the total energy expectation value, in terms of deviation from its exact value. This comparison is performed for the second and fourth order factorizations of the time evolution operator.

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

Anatoliy V. Luzanov

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.

The Journal of Chemical Physics•Sep 2, 2008•1 citation
We generalize our modified spectral method for the solution of the coupled real partial differential equations in phase space for the stationary Wigner function of an energy eigenstate. This generalization allows us to apply our algorithm to arbitrary high-order partial derivatives without increasing the numerical costs. This is possible since we can derive a sum factorization formula converting a multiple sum into a simple product. We apply our method to evaluate the Wigner function of the Morse oscillator and an asymmetric double-well potential, and compare our results with the exact solution when it is known.
We consider the time-independent Wigner functions of phase-space quantum mechanics (a.k.a. deformation quantization) for a Morse potential. First, we find them by solving the ∗\ast∗-eigenvalue equations, using a method that can be applied to potentials that are polynomial in an exponential. A Mellin transform converts the ∗\ast∗-eigenvalue equations to difference equations, and factorized solutions are found directly for all values of the parameters. The symbols of both diagonal and off-diagonal density operator elements in the energy basis are found this way. The Wigner transforms of the density matrices built from the known wave functions are then shown to confirm the solutions.
We consider the time-independent Wigner functions of phase-space quantum mechanics (also known as deformation quantization) for a Morse potential. First, we find them by solving the *-eigenvalue equations, using a method that can be applied to potentials that are polynomial in an exponential. A Mellin transform converts the *-eigenvalue equations to difference equations, and factorized solutions are found directly for all values of the parameters. The symbols found this way are of both diagonal and off-diagonal density operator elements in the energy basis. The Wigner transforms of the density matrices built from the known wavefunctions are then shown to confirm the solutions.
In this thesis, we construct an approximate series solution of the Wigner equation in terms of Airy functions, which are semiclassically concentrated on certain Lagrangian curves in two-dimensional phase space. These curves are defined by the eigenvalues and the Hamiltonian function of the associated one-dimensional Schrödinger operator, and they play a crucial role in the quantum interference mechanism in phase space. We assume that the potential of the Schrödinger operator is a single potential well, such that the spectrum is discrete. The construction starts from an eigenfunction series expansion of the solution, which is derived here for first time in a systematic way, by combining the elementary technique of separation of variables with involved spectral results for the Moyal star exponential operator. The eigenfunctions of the Wigner equation are the Wigner transforms of the Schrödinger eigenfunctions, and they are approximated in terms of Airy functions by a uniform stationary phase approximation of the Wigner transforms of the WKB expansions of the Schrödinger eigenfunctions. The approximation of the eigenfunction series is an approximated solution of the Wigner equation, which by projection onto the configuration space provides an approximate wave amplitude, free of turning point singularities. It is generally expected that, the derived wave amplitude is bounded, and correctly scaled, even on caustics, since only finite terms of the approximate terms are significant for WKB initial wave functions with finite energy. The details of the calculations are presented for the simple potential of the harmonic oscillator, in order to be able to check our approximations analytically. But, the same construction can be applied to any potential well, which behaves like the harmonic oscillator near the bottom of the well.
Abstract Using the phase space approach, we consider the quantum dynamics of a wave packet in an isolated confined system with three different potential energy profiles. We solve the Moyal equation of motion for the Wigner function with the highly efficient spectral split-operator method. The main aim of this study is to compare the accuracy of the employed algorithm through analysis of the total energy expectation value, in terms of deviation from its exact value. This comparison is performed for the second and fourth order factorizations of the time evolution operator.
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.