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  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 7 (1973), S. 319-332 
    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 tunneling of a hydrogen atom through the barrier of a three-dimensional double-well potential is considered. From the time-dependent Schrödinger equation, expressions are derived for the ensemble-averaged probability density and for the probability that the hydrogen atom is in the reactant region, in the barrier region, or in the product region. It is found that when thermal vibrations are not taken into account, the ensemble-averaged probability density may oscillate with time about its equilibrium value. When thermal vibrations are included, the oscillations become damped and the probability density approaches equilibrium. The tunneling rate is found to decrease considerably for increasing barrier thickness and barrier height.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 5 (1985), S. 601-614 
    ISSN: 0271-2091
    Keywords: Finite Elements ; Stokes Equations ; Periodically Constricted Tubes ; Quadrilateral Elements ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The use of the finite element method in solving the problem of flow of a Newtonian fluid in periodically constricted tubes is explored. The performance of eight node serendipity and nine node Lagrangian elements is compared. It was found that the Lagrangian element results in unstable velocity fields when stagnant or recirculation regions are present. This is characteristic of tubes with large expansion zones. The eight node element does not exhibit instabilities. Both elements give accurate pressure fields. This behaviour is contrary to traditional results obtained for flow problems with similar geometrical characteristics. This suggests that the periodicity of the boundary conditions might be the cause of the instabilities in the numerical solution.The use of the continuity equation to simplify the viscous terms in the Stokes equations resulted, in this particular case, in a deterioration of the rate of convergence of the algorithm.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
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