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  • Atomic, Molecular and Optical Physics  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 29 (1986), S. 1561-1573 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 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.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 391-410 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: 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)ωt2y, Ez = -(m/q)ωt2z, 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.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 31 (1987), S. 695-696 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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