| EPSRC Reference: |
GR/J99063/01 |
| Title: |
PERIODIC ORBIT STRUCTURES IN CHAOTIC MOLECULAR VIBRATIONS |
| Principal Investigator: |
Child, Professor M |
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| Department: |
Chemistry - Theoretical Chemistry |
| Organisation: |
University of Oxford |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 January 1995 |
Ends: |
31 March 1997 |
Value (£): |
64,289
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Summary on Grant Application Form |
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The periodic orbits of classically chaotic systems are recognised to play a central role in controlling the organisation of the classical phase space. In addition their paths are known to scar the quantum mechanical wavefunctions while their frequencies govern the short time quantum dynamics even in chaotic situations.The scope of the proposed investigation is to extend recent work in the applicant's group on coupled oscillator systems in two degrees of freedom to make contact with the full vibrational dynamics of H2O and H3+ and the stretching dynamics of CH4. The dominant features of the periodic orbit bifurcation diagram for stretching modes of H2O have been found to be governed by the parameters of a saddle point of the full hamiltonian close to the dissociation limit and similar connections will be sought in the larger systems.Time-independent and time-dependent quantum mechanical studies will be performed to assess the role of the periodic orbits. Particular interest attaches to current evidence that fine structure in the power spectra derived from gaussian wavepackets asosciated with unstable periodic orbits has a direct connection with manifolds asymptotic to the orbits because these manifolds play a central role in the classical phase space diffusion. Husimi transformations will be employed to gain deeper insight into the quantal time evolution in phase space.
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Key Findings |
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Potential use in non-academic contexts |
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Impacts |
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| Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
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Sectors submitted by the Researcher |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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| Project URL: |
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| Further Information: |
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| Organisation Website: |
http://www.ox.ac.uk |