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Physical Review C

Density matrix expansion in the Gaussian wave-packet phase space representation

M. Nielsen, A. F. R. de Toledo Piza

Published Feb 1, 1989• 1 citation
Publisher

Abstract

Using a coherent state phase space representation the distribution function corresponding to many-particle harmonic oscillator wave functions is obtained in explicit analytic form. A density matrix expansion is performed and found to produce good approximations to the exact results.
DOI
10.1103/physrevc.39.720

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In this paper, a new representation of the Wigner function for a quantum system in the phase space is proposed. The new representation is of the form W=Sp⁡[ρW]W=\operatorname{Sp}\left[ ρ\mathcal{W} \right]W=Sp[ρW], where ρρρ is the density matrix, and W\mathcal{W}W is the universal density matrix. The density matrix ρρρ for each quantum system is different, and the universal matrix W\mathcal{W}W is the same for any quantum system. Thus, the matrix W\mathcal{W}W has a fundamental character. In the work, the elements of the universal matrix W\mathcal{W}W were found explicitly and their properties were investigated. The diagonal elements of the matrix W\mathcal{W}W are the Wigner functions of the harmonic oscillator, which do not introduce dissipation into the quantum system. The off-diagonal elements of the matrix W\mathcal{W}W contain frequency oscillations responsible for dissipations in the quantum systems.
Quantum corrections are obtained for the single-particle density matrix in a semiclassical ensemble where the distribution is unrestricted. A form for the density matrix containing explicitly a function of the wave-mechanical Hamiltonian operator is devised; a formalism is then developed to decompose this operator function into effectively classical and nonclassical parts. The classical part corresponds to the semiclassical density matrix and the quantum corrections are obtained from the nonclassical terms.The quantum-corrected density matrix for a spherically symmetrical and a one-dimensional system have been evaluated. The densities for a linear harmonic oscillator and a Coulomb potential for a Fermi-Dirac distribution have also been examined in some detail.
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 study the behavior of infinite systems of coupled harmonic oscillators as the time t\ensuremath{\rightarrow}\ensuremath{\infty}, and generalize the central limit theorem (CLT) to show that their reduced Wigner distributions become Gaussian under quite general conditions. This shows that generalized coherent states tend to be produced naturally. A sufficient condition for this to happen is shown to be that the spectral function is analytic and nonlinear. For a chain of coupled oscillators, the nonlinearity requirement means that waves must be dispersive, so that localized wave packets become suppressed. Virtually all harmonic heat-bath models in the literature satisfy this constraint, and we have good reason to believe that coherent states and their generalizations are not merely a useful analytical tool, but that nature is indeed full of them. Standard proofs of the CLT rely heavily on the fact that probability densities are non-negative. Although the CLT is generally not applicable if the densities are allowed to take negative values, we show that a CLT does indeed hold for a special class of such functions. We find that, intriguingly, nature has arranged things so that all Wigner functions belong to this class.
The autocorrelation function, A(t), measures the overlap (in Hilbert space) of a time-dependent quantum mechanical wave function, psi(x,t), with its initial value, psi(x,0). It finds extensive use in the theoretical analysis and experimental measurement of such phenomena as quantum wave packet revivals. We evaluate explicit expressions for the autocorrelation function for time-dependent Gaussian solutions of the Schrodinger equation corresponding to the cases of a free particle, a particle undergoing uniform acceleration, a particle in a harmonic oscillator potential, and a system corresponding to an unstable equilibrium (the so-called `inverted' oscillator.) We emphasize the importance of momentum-space methods where such calculations are often more straightforwardly realized, as well as stressing their role in providing complementary information to results obtained using position-space wavefunctions.