THE STUDY OF CHEMICAL DYNAMICS THROUGH PERIODIC ORBITS
Abstract
THE DYNAMICS OF EXCITED MOLECULES IS STUDIED. A DETAILED CLASSICAL NONLINEAR MECHANICAL ANALYSIS IS CARRIED OUT AND THE RESULTS ARE COMPARED WITH QUANTUM MECHANICAL CALCULATIONS. THE PHASE SPACE STRUCTURE IS PORTRAYED BY CONSTRUCTING THE DIAGRAM OF CHARACTERISTICS OF THE MOST IMPORTANT FAMILIES OF PERIODICORBITS. IT IS FOUND THAT THE TOPOLOGIES OF EIGENFUNCTIONS CAN BE ASSIGNED TOCERTAIN PERIODIC ORBITS. IRREGULAR FAMILIES WHICH ARE NOT ASSOCIATED WITH THE PRINCIPAL FAMILIES, MARK THE EIGENFUNCTIONS. THE EVOLUTION OF WAVE PACKETS AND THE SPECTRA WHICH ARE PRODUCED FROM THEM SHOW THAT QUANTUM MECHANICALLY THERE IS NO STRONG COMMUNICATION AMONG DIFFERENT RESONANCE REGIONS EVEN AT ENERGIES WHERE CHAOS PREDOMINATES ON CLASSICAL MECHANICS. IT IS DEMONSTRATED THATTHE 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 INITIALLY ON SUCH OR ...
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