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The Journal of Chemical Physics

Wigner trajectories and Liouville’s theorem

R. Sala Mayato, S. Brouard, Juan Gonzalo Muga

Published Aug 15, 1993• 44 citations
Publisher

Abstract

It is found that, in general, Wigner trajectories satisfy Liouville’s theorem only locally, i.e., for restricted phase space and time domains. This fact limits their possible applications. Examples are provided to visualize the process of creation and destruction of Wigner trajectories. It is argued that Weyl transforms of Heisenberg operators are, however, viable alternatives to Wigner trajectories, even though they do not satisfy Liouville’s theorem either.

DOI
10.1063/1.465232

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It is found that, in general, Wigner trajectories satisfy Liouville’s theorem only locally, i.e., for restricted phase space and time domains. This fact limits their possible applications. Examples are provided to visualize the process of creation and destruction of Wigner trajectories. It is argued that Weyl transforms of Heisenberg operators are, however, viable alternatives to Wigner trajectories, even though they do not satisfy Liouville’s theorem either.
The Wigner-Weyl (WW) phase-space formulation of quantum mechanics is discussed within the Liouville-space formalism, where quantum operators A^ are viewed as vectors, represented by L kets \ensuremath{\Vert}A^>>, on which act ``superoperators''; the scalar product is A^\ensuremath{\Vert}B^>>=TrA${\mathrm{^}}^{\mathrm{\ifmmode^\circ\else\textdegree\fi{}}}$B^. With every operator A^, we associate commutation and anticommutation superoperators A${\mathrm{^}}^{\mathrm{\ensuremath{-}}}$ and A${\mathrm{^}}^{+}$, defined by their actions on any operator B^ as A${\mathrm{^}}^{\mathrm{\ensuremath{-}}}$B^=${\mathrm{\ensuremath{\Elzxh}}}^{\mathrm{\ensuremath{-}}1}$[A^,B^], A${\mathrm{^}}^{+}$B^=1/2(A^B^+B^A^). The WW representation corresponds to the choice of a special basis in Liouville space, namely, the eigenbasis of the position and momentum anticommutation superoperators q${\mathrm{^}}^{+}$ and p${\mathrm{^}}^{+}$ (where [q^,p^]=i\ensuremath{\Elzxh}). These, together with the commutation superoperators q${\mathrm{^}}^{\mathrm{\ensuremath{-}}}$ and p${\mathrm{^}}^{\mathrm{\ensuremath{-}}}$, form a canonical set of superoperators, [q${\mathrm{^}}^{+}$,p${\mathrm{^}}^{\mathrm{\ensuremath{-}}}$]=[q${\mathrm{^}}^{\mathrm{\ensuremath{-}}}$,p${\mathrm{^}}^{+}$]=i (the other commutators vanishing), as functions of which all other super- operators can be expressed. Weyl ordering is expressed as f(q^,p^)Weyl{)}_{\mathrm{Weyl}})Weyl​ ordering=f(q${\mathrm{^}}^{+}$,p${\mathrm{^}}^{+}$)1^. A generalization of Ehrenfest's theorem is obtained.
Abstract. We establish the difference between the propagation of semiclassical Wigner functions and classical Liouville propagation. First we re-discuss the semiclassical limit for the propagator of Wigner functions, which on its own leads to their classical propagation. Then, via stationary phase evaluation of the full integral evolution equation, using the semiclassical expressions of Wigner functions, we provide the correct geometrical prescription for their semiclassical propagation. This is determined by the classical trajectories of the tips of the chords defined by the initial semiclassical Wigner function and centered on their arguments, in contrast to the Liouville propagation which is determined by the classical trajectories of the arguments themselves. 1. introduction The Wigner [11] function W is a representation of the quantum density operator ˆρ as a real function on phase space, for a non-relativistic dynamical system with classical-quantum correspondence and n degrees of freedom. Here, all the underlying geometry is euclidean and we can include the Wigner function within the general framework of Weyl representation of operators: Â → A ∈ Ck IR (IR2n), so W(x) = (2π�) −n ρ(x) , where x ≡ (p1,...pn, q1,...qn) denotes a point in phase space. In this context, the quantum evolution of the density operator ˆρt effected by an autonomous external hamiltonian
The Weyl transform is applied in quantum dynamics to derive and extend Moyal's statistical theory of phase-space distributions for noncommuting coordinate and momentum operators. The distinction is made between Weyl transforms in Schrödinger and Heisenberg pictures; the general case of time-dependent Hamiltonians is considered. The Wigner function for the probability distribution in a phase space of Cartesian coordinates Q and momenta K propagates according to a conditional probability P(t, Q, K | t0, Q0, K0), which is exhibited as a Feynman path integral in phase space. Properties of P(t, Q, K | t0, Q0, K0) are developed; it is expressed in terms of the quantum generalization of the classical Liouville operator. The Weyl transform of a Heisenberg operator propagates according to P(t, Q0, K0 | t0, Q, K) which is also given as a Feynman path integral. An equation for the time evolution of Weyl transforms of Heisenberg operators is obtained, according to which the transform of Heisenberg coordinate and momentum operators obey a quantum form of Hamilton's equations of motion. If the initial density operator of the system commutes with the coordinate operator, then the state of the system is a mixture of pure coordinate states; the spectrum of the density operator in this case is continuous. For a Heisenberg operator AH(t) with Weyl transform AH(t, Q, K), the function A(t,Q)=∫dKAH(t,Q,K) is the expectation at time t of the dynamical property for a quantum system initially in a pure state of coordinate Q; it is the quantum-mechanical generalization of the dynamical property of the system along the classical trajectory in configuration space at time t. The probability amplitude for the time dependence of A(t,Q) can be expressed as a Feynman path integral with a Heisenberg Lagrangian. The amplitude of the conditional probability P(t, Q | t0, Q0) considered by Feynman is expressed as a path integral with a Schrödinger Lagrangian. The velocity in the Heisenberg Lagrangian is the negative of that in the Schrödinger Lagrangian of Feynman, but it agrees with the velocity appearing in the Hamiltonian equations. It is the Heisenberg Lagrangian that is the Lagrangian of classical dynamics. For a particle whose potential energy is a function of position, a quantum form of Newton's second law is obtained. An extension of the formalism to non-Cartesian coordinate systems is given.
We consider the quantum Liouville equation and give a characterization of the solutions which satisfy the Heisenberg uncertainty relation. We analyze three cases. Initially we consider a particular solution of the quantum Liouville equation: the Wigner transform f(x,v,t) of a generic solution ψ(x;t) of the Schrödinger equation. We give a representation of ψ(x, t) by the Hermite functions. We show that the values of the variances of x and v calculated by using the Wigner function f(x,v,t) coincide, respectively, with the variances of position operator and conjugate momentum operator obtained using the wave function ψ(x,t). Then we consider the Fourier transform of the density matrix ρ(z,y,t) = ψ∗(z,t)ψ(y,t). We find again that the variances of x and v obtained by using ρ(z, y,t) are respectively equal to the variances of and calculated in ψ(x,t). Finally we introduce the matrix and we show that a generic square‐integrable function g(x,v,t) can be written as Fourier transform of a density matrix, provided that the matrix is diagonalizable.