533.95:539.17 Simulating atomic and molecular physics processes based on the quantum scattering theory

Pozdneev S. A. (Tashkent institute of railway engineering/The Lebedev Physical Institute of the Russian Academy of Sciences)

MATHEMATICAL SIMULATION, QUANTUM SCATTERING THEORY, ELEMENTARY PROCESSES, FADDEYEV’S EQUATIONS


doi: 10.18698/2309-3684-2017-1-321


The article introduces the methods and techniques of simulating various characteristics (such as cross-section, reaction rate etc.) of atomic and molecular physics elementary processes based on the quantum scattering theory within the system of several particles. We have analyzed the results of simulating the electrons and atoms processes of scattering by the diatomic and polyatomic molecules being in specific excited rovibrational states. The article considers different approximations necessary for constructing adequate models of the real physical systems consisting of several bodies which are applicable for both forward reactions and the reactions accompanied by the formation of the intermediate transition complex. We have compared the results of simulating the cross sections of the collisions between the electrons, atoms and molecules as well as between the molecules to the existing experimental data and calculations results of other researchers.


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Pozdneev S. Simulating atomic and molecular physics processes based on the quantum scattering theory. Маthematical Modeling and Coтputational Methods, 2017, №1 (13), pp. 3-21



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