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National Repository of Grey Literature 2 records found  Search took 0.00 seconds. 
Classical and quantum chaotic dynamics in reactive scattering of atoms and molecules.
 Trnka, Jiří ; Čížek, Martin (advisor) ; Houfek, Karel (referee)
The thesis deals with quantum reaction dynamics of three-particle systems. The thesis summarizes main theoretical results about three-body problem in quantum mechanics. A simple two dimensional model of three-particle system corresponding to atom-diatom collision was studied as a part of this thesis. The model allows for vibrational excitation and reaction processes. Solution based on distorted-wave method and Schwinger variational principle is proposed to solve the model. Proposed method of solution is then applied to a system of three coupled Morse potential energy surfaces. Probabilities of possible proces- ses depending on energy of incoming particle were calculated using the proposed method of solution for two variants of coupled Morse PESs. 1
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Semiclassical Monte-Carlo method in three particle scattering.
 Trnka, Jiří ; Čížek, Martin (advisor) ; Houfek, Karel (referee)
The thesis discusses semiclassical Monte carlo method in three particle scattering. The basic procedure for calculating cross sections of reactions of a single atom with a diatomic molecule is summarized. For the purpose of testing the method, the cross sections of exchange reactions in system H2+H represented by Karplus Porter potential energy surface were calculated. The thesis also deals with chaotic behaviour of threeparticle scattering in a simple model system of coupled Morse potentials. The model system was expanded by incorporating the process of associative detachement, which was studied in combination with long chaotic trajectories. Powered by TCPDF (www.tcpdf.org)
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