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International Journal of Quantum Chemistry

On the complex relations between equations describing the dynamics of wave and particle aspects

Dieter Schuch

Published May 20, 1992• 16 citations
Publisher

Abstract

Abstract Equations of motion on the levels of classical mechanics, hydrodynamics, and wave mechanics are analyzed and existing connections are shown. The manifestation of particle and wave aspects on the different levels are investigated. Dissipative frictional forces are included and a nonlinear wave mechanical equation for these systems can be found. It follows the discussion of an alternative to the time‐dependent Schrödinger equation (SE) in order to obtain the dynamical information on particle and wave aspects in a different form. This can be achieved by means of a Newtonian equation for a complex variable in connection with a conservation law for a nonclassical angular momentum‐type quantity. With the help of this complex variable it is also possible to develop a Hamiltonian formalism for the wave aspect contained in the SE, the fluctuation, or uncertainty of position and momentum. In this case the Hamiltonian function is equivalent to the difference between the mean value of the Hamiltonian operator and the classical Hamiltonian function. Possible extensions and applications are mentioned.

DOI
10.1002/qua.560420410

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Abstract Equations of motion on the levels of classical mechanics, hydrodynamics, and wave mechanics are analyzed and existing connections are shown. The manifestation of particle and wave aspects on the different levels are investigated. Dissipative frictional forces are included and a nonlinear wave mechanical equation for these systems can be found. It follows the discussion of an alternative to the time‐dependent Schrödinger equation (SE) in order to obtain the dynamical information on particle and wave aspects in a different form. This can be achieved by means of a Newtonian equation for a complex variable in connection with a conservation law for a nonclassical angular momentum‐type quantity. With the help of this complex variable it is also possible to develop a Hamiltonian formalism for the wave aspect contained in the SE, the fluctuation, or uncertainty of position and momentum. In this case the Hamiltonian function is equivalent to the difference between the mean value of the Hamiltonian operator and the classical Hamiltonian function. Possible extensions and applications are mentioned.
The dynamical properties of the wave and particle aspects of the harmonic oscillator can be studied with the help of the time-dependent Schroedinger equation (SE). Especially the time-dependence of maximum and width of Gaussian wave packet solutions allow to show the evolution and connections of those two complementary aspects. The investigation of the relations between the equations describing wave and particle aspects leads to an alternative description of the considered systems. This can be achieved by means of a Newtonian equation for a complex variable in connection with a conservation law for a nonclassical angular momentum-type quantity. With the help of this complex variable, it is also possible to develop a Hamiltonian formalism for the wave aspect contained in the SE, which allows to describe the dynamics of the position and momentum uncertainties. In this case the Hamiltonian function is equivalent to the difference between the mean value of the Hamiltonian operator and the classical Hamiltonian function.
Taking into account wave-particle duality and the uncertainty principle, a nonlinear Schrödinger wave equation (NLSE) for the description of dissipative systems can be constructed by applying only Newton's form of classical mechanics. A comparison between our NLSE for dissipative systems and the linear time-dependent SE for conservative systems shows that, for free motion and motion in a harmonic potential, both equations have Gaussian wave-packet solutions. The time dependence of the maximum of these functions is governed by the classical (real) Newtonian equation of motion. While the time dependence of the width of the wave packet can be determined from a nonlinear complex Bernoulli/Ricatti type differential equation. This can be done by transformation into a Newton-type equation for a real quantity α (which is proportional to the square root of the width), including a kind of “centrifugal force” term. This equation can be solved analytically and when taken with Newton's equation of motion for the mean value of the position, it forms a so-called Ermakov system. For the linear SE equation, this implies the existence of a dynamical invariant. For our NLSE we also obtain such an exact invariant, but now for a dissipative system. Furthermore, this complex nonlinear equation can be linearised using the logarithmic derivative of a complex quantity λ, thus yielding a complex Newtonian equation of motion. The absolute value of λ is equivalent to α, the phase angle can be determined using a relation that connects real and imaginary parts of λ. This relation is linked to a kind of “conservation of angular momentum” for the quantity λ in a complex plane. The relations between the above-mentioned quantities will be discussed in detail.
Two types of Hamiltonians are investigated which describe quantum mechanically a particle moving subject to a linear viscous force under the influence of a conservative force: the conventional explicitly time-dependent one and an alternative class of nonlinear Hamiltonians. In the latter group we propose a new form. By Ehrenfest’s theorem the expectation values of the operators of physical observables correspond to the classical quantities. For all Schrödinger equations we derive and discuss wavepacket, wave, stationary, and pseudostationary solutions of force free motion, free fall, and harmonic oscillator.
Phase and amplitude of the complex wave function are not independent of each other, but coupled, which becomes obvious looking at Madelung's hydrodynamic formulation of quantum mechanics. In the time-independent case, this leads to a kind of conservation law that allows for the reformulation of the linear Schrodinger equation in terms of a nonlinear Ermakov equation which is equivalent to a complex Riccati equation where the quadratic term in this equation explains the origin of the phase-amplitude coupling. A similar conservation law and corresponding nonlinear equations can also be found in the time-dependent case. The gain from the nonlinear formulations emerges when open systems with dissipation and irreversibility are considered. Describing this kind of systems by an effective nonlinear Schrodinger equation leads to a modification of the above-mentioned equations with new qualitative effects like Hopf bifurcations.
Quantum mechanics is essentially described in terms of complex quantities like wave functions. The interesting point is that phase and amplitude of the complex wave function are not independent of each other, but coupled by some kind of conservation law. This coupling exists in time-independent quantum mechanics and has a counterpart in its time-dependent form. It can be traced back to a reformulation of quantum mechanics in terms of nonlinear real Ermakov equations or equivalent complex nonlinear Riccati equations, where the quadratic term in the latter equation explains the origin of the phase-amplitude coupling. Since realistic physical systems are always in contact with some kind of environment this aspect is also taken into account. In this context, different approaches for describing open quantum systems, particularly effective ones, are discussed and compared. Certain kinds of nonlinear modifications of the Schrödinger equation are discussed as well as their interrelations and their relations to linear approaches via non-unitary transformations. The modifications of the aforementioned Ermakov and Riccati equations when environmental effects are included can be determined in the time-dependent case. From formal similarities conclusions can be drawn how the equations of time-independent quantum mechanics can be modified to also incluce the enviromental aspects.
Abstract In many texts, the transition from classical mechanics to quantum mechanics is achieved by substituting the action for the phase angle. The paper presents a different approach to show some connections between classical and quantum mechanics for a single particle for an audience at graduate and postgraduate levels. Firstly, it is shown that a wave equation of action can be derived under the free particle condition and the Legendre transform. The wave-like solutions of the action, Hamiltonian and momentum of the free particle are presented. Using the discrete approximation, the equation of motion of a single particle, in scalar potential field, is obtained in a similar form to Schrödinger’s equation. The rest of the paper discusses the propagation, superposition of the wave-like dynamic variables and their connections to quantum mechanics. The superposition of the variables of a particle is generally distinct from the superposition of classical waves (e.g. acoustics). The quantum superposition provides a self-consistent interpretation of the wave-like solutions of the variables. Connections between the classical and quantum relations for corresponding variables are observed from the one-to-one comparisons.