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Identifier |
uch.chemistry.phd//1991DIS0175 |
Title |
Μελέτη της χημικής δυναμικής μέσω περιοδικών τροχιών |
Alternative Title |
The study of chemical dynamics through periodic orbits |
Author
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Φουναργιωτάκης, Μανόλης Γ
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Abstract |
The dynamics of excited molecules is studied. A detailed classical nonlinear mec hanical analysis is carried out and the results are compared with quantum mechan ical calculations. The phase space structure is portrayed by constructing the di agram of characteristics of the most important families of periodic orbits. It i s found that the topologies of eigenfunctions can be assigned to certain periodi c orbits. Irregular families which are not associated with the principal familie s, mark the eigenfunctions. The evolution of wave packets and the spectra which are produced from them show that quantum mechanically there is no strong communi cation among different resonance regions even at energies where chaos predominat es on classical mechanics. It is demonstrated that the systematic study of phase space structure through the families of periodic orbits in association with the solution of the time dependent Schodinger equation for wave packets localized i nitially on such orbits provide the numerical techniques for studying highly exc ited species.
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Language |
Greek |
Issue date |
1991-12-01 |
Collection
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School/Department--School of Sciences and Engineering--Department of Chemistry--Doctoral theses
|
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Type of Work--Doctoral theses
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Views |
324 |