In this article it is shown that perturbative methods currently exploited in quantum mechanics can be used to treat a classical Liouville problem describing the evolution of an ensemble of noncollisional particles. The method discussed is based on the concepts of an evolution operator and interaction picture, which can be introduced for a classical Hamiltonian in full analogy with quantum mechanics. The usefulness of the developed method to treat the quantum extension of the Liouville equation is also stressed.
In this article it is shown that perturbative methods currently exploited in quantum mechanics can be used to treat a classical Liouville problem describing the evolution of an ensemble of noncollisional particles. The method discussed is based on the concepts of an evolution operator and interaction picture, which can be introduced for a classical Hamiltonian in full analogy with quantum mechanics. The usefulness of the developed method to treat the quantum extension of the Liouville equation is also stressed.
We clarify certain confusions in the literature of the density operator in quantum mechanics, and demonstrate that the quantum Liouville theorem has the same form in both the Schrodinger and the Heisenberg pictures.Our starting point is to treat the density operator as an observable which has its specific time dependence in each of the two pictures.It is further shown that such a formulation will provide the exact correspondence between classical and quantum statistical mechanics with the Liouville theorem being interpreted as a conservation law, which is derivable from the equation of motion only in the quantum case.
The general, N state matrix representation of the time-dependent Schrödinger equation is equivalent to an N degree of freedom classical Hamiltonian system. We describe how classical mechanical methods and ideas can be applied towards understanding and modeling exact quantum dynamics. Two applications are presented. First, we illustrate how qualitative insights may be gained by treating the two state problem with a time-dependent coupling. In the case of periodic coupling, Poincaré surfaces of section are used to view the quantum dynamics, and features such as the Floquet modes take on interesting interpretations. The second application illustrates computational implications by showing how Liouville’s theorem, or more generally the symplectic nature of classical Hamiltonian dynamics, provides a new perspective for carrying out numerical wave packet propagation. We show how certain simple and explicit symplectic integrators can be used to numerically propagate wave packets. The approach is illustrated with an application to the problem of a diatomic molecule interacting with a laser, although it and related approaches may be useful for describing a variety of problems.
The starting point of the classical description of motion is the Newton equations that yield a phase space trajectory (rN (t), pN (t)) for a given initial condition (rN (0), pN (0)). Alternatively one may describe classical motion in the framework of the Liouville equation (Section (1.2.2)) that describes the time evolution of the phase space probability density f (rN , pN ; t). For a closed system fully described in terms of a well specified initial condition, the two descriptions are completely equivalent. Probabilistic treatment becomes essential in reduced descriptions that focus on parts of an overall system, as was demonstrated in Sections 5.1–5.3 for equilibrium systems, and in Chapters 7 and 8 that focus on the time evolution of classical systems that interact with their thermal environments. This chapter deals with the analogous quantum mechanical problem. Within the limitations imposed by its nature as expressed, for example, by Heisenbergtype uncertainty principles, the Schrödinger equation is deterministic. Obviously it describes a deterministic evolution of the quantum mechanical wavefunction. The analog of the phase space probability density f (rN , pN ; t) is now the quantum mechanical density operator (often referred to as the “density matrix”), whose time evolution is determined by the quantum Liouville equation. Again, when the system is fully described in terms of a well specified initial wavefunction, the two descriptions are equivalent. The density operator formalism can, however, be carried over to situations where the initial state of the system is not well characterized and/or a reduced description of part of the overall system is desired. Such situations are considered later in this chapter.
A new method for the quantization of classical Hamiltonian systems is presented. This method is based upon the correspondence between the Liouville formulation of classical mechanics and the Liouville–von Neumann formulation of quantum mechanics. It does not distinguish between integrable and nonintegrable systems, and consequently, is equally applicable to both types of systems. Further, it treats the indistinguishability of identical particles correctly, and thus, the semiclassical eigenstates have the correct symmetry properties. Application of the method is illustrated by a series of examples. The results are in excellent agreement with quantum mechanics and represent an improvement over results obtained using the uniform semiclassical approximation.
This paper and a following one develop a Hamiltonian formulation of the de Broglie-Bohm (deBB) interpretation of quantum mechanics. Drawing upon a unified Hamiltonian treatment of a classical particle and its associated ensemble, it is shown how the interaction of a particle and a spin-0 quantum wave can be consistently expressed in a canonical framework. A formulation is found in which the particle is acted upon by a force determined by the quantum potential but the particle does not react on the Schrodinger field. This requires the introduction of an additional field which the particle does act upon, and allows the deBB theory to be expressed in Hamiltonian terms. An ensemble theory for the wave-particle system based on Liouville's equation is developed, and it is shown that for a pure quantum state the particle obeys its own Liouville equation. The general particle phase space distribution that is compatible with ‖ψ‖ 2 is derived. A special case of this corresponds to the relation p = ∂S/∂q (and thus the guidance law of the deBB theory) but more general distributions, and hence non-deBB motions, are possible. This relation is interpreted as a constraint on the phase space of the composite system. Using the theory of Hamiltonian constraints it is shown that the first-order guidance law and Hamilton's second-order particle equations are dynamically equivalent.
The quantum Liouville equation in the Wigner representation is solved numerically by using Monte Carlo methods. For incremental time steps, the propagation is implemented as a classical evolution in phase space modified by a quantum correction. The correction, which is a momentum jump function, is simulated in the quasi-classical approximation via a stochastic process. In this paper the technique, which is developed and validated in two- and three-dimensional momentum space, extends an earlier one-dimensional work. Also, by developing a new algorithm, the application to bound state motion in an anharmonic quartic potential shows better agreement with exact solutions in two-dimensional phase space. I. Introduction Nuclear interaction theory is formulated in the language of quantum mechanics, and hence the development of general methods of solutions to quantum dynamics will provide useful tools for application to a large class of problems in nuclear many-body theory. Different approaches...