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Exact and quasi-classical density matrix and Wigner functions for a particle in the box and half space

Elmira Akhundova, V. V. Dodonov, Vladimir I. Man’ko

Published Jan 1, 1993• 0 citations
OpenAlex

Abstract

The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).

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The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).
The integral of the Wigner function over a subregion of the phase space of a quantum system may be less than zero or greater than one. It is shown that for systems with 1 degree of freedom, the problem of determining the best possible upper and lower bounds on such an integral, over all possible states, reduces to the problem of finding the greatest and least eigenvalues of a Hermitian operator corresponding to the subregion. The problem is solved exactly in the case of an arbitrary elliptical region. These bounds provide checks on experimentally measured quasiprobability distributions.
The one-dimensional Wigner quasiprobability function is considered rigorously in the classical limit ($\ensuremath{\hbar}\ensuremath{\rightarrow}0$). With the implicit $\ensuremath{\hbar}$-dependence of the wave function $\ensuremath{\psi}$ ignored in the integral representation, this limit differs from ${|\ensuremath{\psi}(q)|}^{2}\ensuremath{\delta}(p)$ by terms $\frac{o(\ensuremath{\hbar})}{\ensuremath{\hbar}}$. With the implicit $\ensuremath{\hbar}$ dependence of $\ensuremath{\psi}$ accounted for (as it should be), rigorous asymptotic methods are applied, with the results that: (1) in the "classically allowed" region, the limit is an asymptotic exponential function of qqq, multiplied by an energy-conserving $\ensuremath{\delta}$ function; (2) in the "nonclassically allowed" region, this limit is zero. The stationary-phase approach leads nowhere in this regard. A WKBJ-type solution for the radial Schr\"odinger equation is developed, with rigorous error bounds in the different situations. The Wigner function is computed for an ensemble of one-dimensional harmonic oscillators, and an associated phase-space "density matrix" is constructed therefrom. This is compared with the Slater sum for the ensemble---in general, and in the particular cases of high temperature and of $\ensuremath{\hbar}\ensuremath{\rightarrow}0$; where $\ensuremath{\hbar}\ensuremath{\rightarrow}0$, the asymptotic behavior of the Wigner function is explicitly manifest.
For systems which obey quantum mechanics, the formulation of the problem of treating large numbers of particles is, of course, somewhat different than it is for classical systems. The microscopic description of the system is provided by a wave function which (in the absence of spin) is a function of the classical coordinates { q i }. The mathematical model is provided by a Hamiltonian operator H which is often obtained from the corresponding classical Hamiltonian by the replacement p i → ( ħ /i)(∂/∂ q i ). In other cases the form of the Hamiltonian operator is simply postulated. The microscopic dynamics are provided by the Schrödinger equation i ħ (∂Ψ/∂ t ) = H Ψ which requires as initial condition the knowledge of the wave function Ψ({ q i }, t ) at some initial time t 0 . (Boundary conditions on Ψ({ q i }, t ) must be specified as part of the description of the model as well.) The results of experiments in quantum mechanics are characterized by operators, usually obtained, like the Hamiltonian, from their classical forms and termed observables. Operators associated with observables must be Hermitian. In general, the various operators corresponding to observables do not commute with one another. It is possible to find sets of commuting operators whose mutual eigenstates span the Hilbert space in which the wave function is confined by the Schrödinger equation and the boundary conditions. A set of such (time independent) eigenstates, termed ψ ν ( q ), is a basis for the Hilbert space.
We use the characteristic function of the Wigner function (its double Fourier transform) to give solution to any generic open quantum linear systems (systems whose Hamiltonian is at most quadratic). The solution is carried out in terms of the application of the transition matrix of the dynamical evolution in the Fourier space. We address two cases: the time-independent coefficients for which we give the solutions for several dissipative models of the quantum harmonic oscillator and the one-dimensional free particle. In the latter, we also derive a heuristic model for a pure damped motion with suppression of diffusion. For the time-dependent coefficient problem, we give some particular cases that are integrable and derive a second order approximation to the generic case in which all parameters are time-dependent. We additionally explore the solutions of the system when the diffusion processes of the dissipative model lie beyond the weak coupling limit.
The bound states of a particle confined in a one-dimensional finite square well cannot be solved analytically, since the eigen-energies are determined by transcendental equations. Here, we numerically calculate the bound states and show their non-classical properties, using Wigner's quasi-probability distribution (also called the Wigner functions) in the phase space (x, p). In contrast to the infinite-well case, we find that the Wigner functions spread over the space dimension x, get squeezed along the momentum dimension p, and show negativity outside the well. Negativity in a Wigner function indicates non-classical properties of the bound states.
Abstract We explore the semi-classical structure of the Wigner functions Ψ(q,p) representing bound energy eigenstates | Ψ 〉 for systems with fdegrees of freedom. If the classical motion is integrable, the classical limit of Ψ is a delta function on the f-dimensional torus to which classical trajectories corresponding to |Ψ〉 are confined in the 2f-dimensional phase space. In the semi-classical limit of Ψ (ℏ small but not zero) the delta function softens to a peak of order Ψ−f and the torus develops fringes of a characteristic ‘Airy’ form. Away from the torus,Ψ can have semi-classical singularities that are not delta functions; these are discussed (in full detail when f = 1) using Thom's theory of catastrophes. Brief consideration is given to problems raised when is calculated in a representation based on operators derived from angle coordinates and their conjugate momenta. When Ψ the classical motion is non-integrable, the phase space is not filled with tori and existing semi-classical methods fail. We conjecture that (a) For a given value of non-integrability parameter ⋲,the system passes through three semi-classical régimes as ℏ diminishes. (b) For states |Ψ〉 associated with regions in phase space filled with irregular trajectories, Ψ will be a random function confined near that region of the ‘energy shell’ explored by these trajectories (this region has more thanks dimensions). (c) For ⋲ ≠ 0, ℏ blurs the infinitely fine classical path structure, in contrast to the integrable case ⋲ = 0, where ℏ imposes oscillatory quantum detail on a smooth classical path structure.