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International Journal of Quantum Chemistry

Nonlinear Schrödinger‐type field equation for the description of dissipative systems. II. Frictionally damped motion in a magnetic field

Dieter Schuch, Kyu -Myung Chung, H. Hartmann

Published Feb 1, 1984• 17 citations
Publisher

Abstract

Abstract With the aid of a method similar to the one we used in an earlier work (part I) a new Schrödinger‐type field equation with logarithmic nonlinearity can be derived from a Fokker–Planck equation for a distribution function. This nonlinear field equation describes the frictinally damped motion of a system under the influence of a magnetic field and can be interpreted in the same way as the nonlinear Schrödinger‐type equation (NLSE) derived in part I, where no magnetic fields were taken into account. The NLSE for the two‐dimensional motion of a charged material system in a homogeneous magnetic field is solved exactly. The solutions are compared with the quantum‐mechanical solutions of the corresponding undamped problem. The method is extended to include also anisotropic conditions; i.e., in the Fokker–Plank equation the diffusion constant has to be replaced by a diffusion matrix, as different diffusion constants may be possible for different space directions. We regard the three‐dimensional motion under the combined influence of magnetic and electric fields according to K = (q/c)(v × B) + qE − mγv with Ey = (m/q)ω y, Ez = −(m/q)ω z, B = (0, 0, B) as an example. This is an approximation of the conditions existing in an ion cyclotron resonance spectrometry cell, neglecting an additional drift motion in the x direction which could be taken into account by Galilean transformation and gauge transformation. The corresponding NLSE for the coupled three‐dimensional motion is specified and solved exactly.

DOI
10.1002/qua.560250210

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Based on three principles taken from empiricism we establish a new nonlinear field theory which allows us to describe frictional effects in dissipative systems with the aid of a Schrödinger-type field equation with logarithmic nonlinearity. This nonlinear field equation corresponds to the classical Langevin equation and can be interpreted in different ways, taking the view of classical undulatory theory or probabilistic theories, respectively. Because of formal similarities, calculations can be performed independently of the accepted interpretation; only the occurring quantities have to be provided with the corresponding meaning. As an example, the nonlinear field equation for the damped harmonic oscillator is solved exactly. The solutions, a wavefunction and a wavepacketlike solution, a solution with Gaussian shape, exhibit reasonable properties, contain the correct reduced frequency Ω=(ω20−γ2/4)1/2 and are different from the solutions of the undamped problem. The properties of our nonlinear friction term are discussed and compared with those of similar nonlinear friction terms used by other authors. Finally, we derive a nonlinear friction term equivalent to our logarithmic nonlinearity but involving only combinations of suitably defined operators of position and linear momentum and mean values of these operators.

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Abstract In 1940, Kramers derived an expression for the rate constant of chemical reactions in viscous media. In this theory, chemical reactions are modeled as Brownian processes in the presence of potential barriers. The derivation of the rate constant is based on the solution of the Smoluchowski equation, a Fokker–Planck‐type equation in position space. Kramers' theory has been confirmed for reactions in systems ranging from nuclear processes to biochemical problems. The reaction rate can be obtained from the diffusion currents appearing in the Smoluchowski equation. A Smoluchowski‐type equation in position space, similar to the one applied by Kramers, has been used to find a nonlinear Schrödinger equation (NLSE) for dissipative, frictionally damped systems, taking into account wave‐particle duality. For several potentials, the NLSE can be solved exactly, and analytic expressions for the currents, appearing in the Smoluchowski equation and necessary to determine the rate constants, can be obtained. These currents are not only stationary, but can also be time‐dependent. It will be shown that, essentially, the determination of the time‐dependence of the currents can be reduced to the solution of Newton‐type equations of motion. © 1993 John Wiley & Sons, Inc.

International Journal of Quantum Chemistry•Jan 1, 1993•0 citations
Abstract With the aid of a method similar to the one we used in an earlier work (part I) a new Schrödinger‐type field equation with logarithmic nonlinearity can be derived from a Fokker–Planck equation for a distribution function. This nonlinear field equation describes the frictinally damped motion of a system under the influence of a magnetic field and can be interpreted in the same way as the nonlinear Schrödinger‐type equation (NLSE) derived in part I, where no magnetic fields were taken into account. The NLSE for the two‐dimensional motion of a charged material system in a homogeneous magnetic field is solved exactly. The solutions are compared with the quantum‐mechanical solutions of the corresponding undamped problem. The method is extended to include also anisotropic conditions; i.e., in the Fokker–Plank equation the diffusion constant has to be replaced by a diffusion matrix, as different diffusion constants may be possible for different space directions. We regard the three‐dimensional motion under the combined influence of magnetic and electric fields according to K = (q/c)(v × B) + qE − mγv with Ey = (m/q)ω y, Ez = −(m/q)ω z, B = (0, 0, B) as an example. This is an approximation of the conditions existing in an ion cyclotron resonance spectrometry cell, neglecting an additional drift motion in the x direction which could be taken into account by Galilean transformation and gauge transformation. The corresponding NLSE for the coupled three‐dimensional motion is specified and solved exactly.
Based on three principles taken from empiricism we establish a new nonlinear field theory which allows us to describe frictional effects in dissipative systems with the aid of a Schrödinger-type field equation with logarithmic nonlinearity. This nonlinear field equation corresponds to the classical Langevin equation and can be interpreted in different ways, taking the view of classical undulatory theory or probabilistic theories, respectively. Because of formal similarities, calculations can be performed independently of the accepted interpretation; only the occurring quantities have to be provided with the corresponding meaning. As an example, the nonlinear field equation for the damped harmonic oscillator is solved exactly. The solutions, a wavefunction and a wavepacketlike solution, a solution with Gaussian shape, exhibit reasonable properties, contain the correct reduced frequency Ω=(ω20−γ2/4)1/2 and are different from the solutions of the undamped problem. The properties of our nonlinear friction term are discussed and compared with those of similar nonlinear friction terms used by other authors. Finally, we derive a nonlinear friction term equivalent to our logarithmic nonlinearity but involving only combinations of suitably defined operators of position and linear momentum and mean values of these operators.
A new theory for the description of dissipative systems by nonlinear Schrödinger-type field equations (NLSE’s) with logarithmic nonlinearity, which has been recently developed by the authors, is applied to investigate the frictionally damped free motion and similar spatially unrestricted aperiodic problems. Wave-packet solutions as well as time-dependent wave-function solutions are derived and discussed. In the limit of vanishing friction (friction constant γ→0) these solutions turn into the well-known solutions of the respective linear Schrödinger field equation. The same applies to the mean values of position, momentum, and energy, as well as to the uncertainty product of position and momentum. For γ≠0, however, interesting new effects appear. In contrast to the linear theory the uncertainty product of position and momentum does not diverge any more for infinitely long times, t→∞, but asymptotically approaches a definite constant value which depends on characteristic parameters of the system like its mass, initial width, and friction constant γ. Another effect, the faster spreading of the Gaussian wave-packet solution compared to the linear theory, can be explained with the help of a special property of our nonlinear differential equation. In a way similar to what is usually only known for linear differential equations, the wave-packet solutions of our NLSE can be obtained by superposition of the wave functions which are individually also solutions of the same NLSE. The properties of the time-dependent superposition coefficients appearing in this connection are discussed. The extension to the corresponding three-dimensional problem as well as the differences arising in the investigation of the NLSE’s of the free fall and the motion in a constant electric field are given. Concluding, some differences are discussed which appear applying our nonlinear field theory to describe periodic or aperiodic motions, respectively.
In wave mechanics an appropriate description of a system under the influence of a linearly velocity dependent frictional force can be given by a nonlinear Schrödinger equation (NLSE) with logarithmic nonlinearity. However, the particular logarithmic form of the dissipative nonlinear frictional term in the NLSE is connected with the definition of the momentum- or velocity-operator in position-space. Therefore, in momentum-space, this form of the NLSE is no longer correct to describe the same physical sitution. This can be seen, e.g., from the fact that, in contrast to the linear case, the Fourier transform of the solution of the NLSE in position-space does not fulfill anymore the logarithmic NLSE in momentum-space. It will be shown, using results obtained from the theory in position-space, that it is possible to find a form of the nonlinear dissipative frictional term which is valid in position- as well as in momentum-space. Using this form, the NLSE looks like a diffusion equation with complex diffusion coefficient, i.e., a combination of a diffusion and a Schrödinger equation. The solution of this NLSE in momentum-space will be discussed. © 1994 John Wiley & Sons, Inc.
It has been shown that the irreversible dynamics of a system in a dissipative environment can be described by an effective one-particle Hamiltonian (in the classical case) or an effective one-particle Schrödinger equation (in the quantum mechanical case) without taking into account the environmental degrees of freedom explicitly. In the quantum mechanical case, the description can be achieved either by a nonlinear modification of the Schrödinger equation or an explicitly time-dependent Hamiltonian operator — where both forms are connected via a non-unitary transformation, corresponding to a non-canonical transformation on the classical level. Taking into account an external magnetic field, in both formalisms, an additional unphysical gauge-dependent term occurs in the equations of motion. This shortcoming can be eliminated if the Lagrangian and Hamiltonian that provide Maxwell’s equations of electrodynamics undergo, in the dissipative case, the same kind of transformation as the mechanical degrees of freedom of the system. As a result, a consistent description in terms of exact analytical wave packet-solutions for the dissipative motion in a magnetic field can be obtained that will be discussed in detail.
Abstract The aim of our work was to find an unambiguous connection between irreversible macroscopic dynamics and reversible microdynamics that makes it possible to manifest irreversibility on a submacroscopic level without the use of coarse graining arguments. On this level the state of a physical system can be described by a field amplitude Ψ and the time evolution of this system is determined by a field equation for Ψ. For conservative systems, this field equation is formally identical with the linear Schrödinger equation, which can be constructed with the help of the classic Hamiltonian function for the corresponding problem. Regarding irreversible phenomena like damping due to a frictional force, for those dissipative systems no classic Hamiltonian function exists. Therefore the corresponding field equation cannot be obtained in the usual way. Nevertheless, also for dissipative systems it is possible to obtain a field equation in an unambiguous way using only Newton's form of classic mechanics. The result of our method is a nonlinear Schrödinger‐type field equation with a logarithmic nonlinearity. We discuss in more detail the properties of our logarithmic nonlinearity that corresponds to a macroscopic frictional force in a unique way. A figurative interpretation in terms of environment and interaction can be given. From a more formal point of view, the compatibility of our nonlinear operator with principles known from the theory of linear operators is investigated. One of the surprising results is the fact that although our nonlinear Hamiltonian HNL is “Hermitean” in the usual sense, in contrast to the linear theory an operator exp(i · HNL) is not unitary. Furthermore, in our theory the time‐derivative of the mean value of an operator is not only essentially determined by (the mean value of) its commutator with the Hamiltonian. There also occurs an additional term that causes irreversibility of the evolution and is connected with the feature of our theory that (in general) time derivative and construction of the mean value are no longer commuting operations. This fact shows some similarity with coarse graining theories, but in our theory the reason can be traced back unambiguously to an irreversible physical phenomenon.
Abstract In 1940, Kramers derived an expression for the rate constant of chemical reactions in viscous media. In this theory, chemical reactions are modeled as Brownian processes in the presence of potential barriers. The derivation of the rate constant is based on the solution of the Smoluchowski equation, a Fokker–Planck‐type equation in position space. Kramers' theory has been confirmed for reactions in systems ranging from nuclear processes to biochemical problems. The reaction rate can be obtained from the diffusion currents appearing in the Smoluchowski equation. A Smoluchowski‐type equation in position space, similar to the one applied by Kramers, has been used to find a nonlinear Schrödinger equation (NLSE) for dissipative, frictionally damped systems, taking into account wave‐particle duality. For several potentials, the NLSE can be solved exactly, and analytic expressions for the currents, appearing in the Smoluchowski equation and necessary to determine the rate constants, can be obtained. These currents are not only stationary, but can also be time‐dependent. It will be shown that, essentially, the determination of the time‐dependence of the currents can be reduced to the solution of Newton‐type equations of motion. © 1993 John Wiley & Sons, Inc.