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Chaos in Molecular Systems?

  • Stavros C. Farantos
  • Jonathan Tennyson
Chapter
Part of the NATO ASI Series book series (ASIC, volume 200)

Abstract

Theoretical studies on the floppy molecules KCN, LiCN and ArHCl, and on the more conventional molecules HCN and HCCH suggest that regular/irregular states can be identified in vibrationally excited molecules. Excitation of the low frequency mode (bending for triatomics) is the favoured route to chaotic behaviour. In accord with Percival’s conjecture, spectra of LiCN associated with regular states are characterized by sharp, high intensity lines whereas chaotic states result in broad, low intensity spectra. Stable periodic trajectories are found in the phase space of HCN and HCCH at energies above the barrier to isomerization which provide bottlenecks to the reaction.

Keywords

Periodic Orbit Lyapunov Exponent Quantum Mechanical Calculation Chaotic State Chaotic Region 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© D. Reidel Publishing Company 1987

Authors and Affiliations

  • Stavros C. Farantos
    • 1
    • 2
  • Jonathan Tennyson
    • 3
  1. 1.Department of ChemistryUniversity of CreteIraklion, CreteGreece
  2. 2.Institute of Electronic Structure and LaserResearch Center of CreteIraklion, CreteGreece
  3. 3.Department of Physics and AstronomyUniversity College LondonLondonEngland

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